SCHEMBL4125271

SCHEMBL4125271

Cc1ccccc1-c1cc(N2CCN(C)CC2)ccc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 1.00
SGMS2 Q8NHU3 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4131710 0.90 TACR1 (0.82) TACR1SGMS2
SCHEMBL29467378 0.85 TACR1 (1.00) TACR1
SCHEMBL905330 0.85 TACR1 (1.00) TACR1
SCHEMBL6872781 0.85 TACR1 (0.74) TACR1
Hydrochloric Acid SCHEMBL905341 0.84 TACR1 (0.98) TACR1
SCHEMBL17762929 0.82 TACR1 (0.94) TACR1
SCHEMBL6872779 0.82 TACR1 (1.00) TACR1
SCHEMBL17263543 0.81 TACR1 (0.92) TACR1
SCHEMBL21141204 0.81 TACR1 (0.91) TACR1
SCHEMBL21141417 0.77 TACR1 (0.86) TACR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 US claimed
US-20110053954-A1 METHOD OF TREATMENT AND/OR PREVENTION OF BRAIN, SPINAL OR NERVE INJURY HOFFMANN TORSTEN 2011-03-03 US claimed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 US claimed
US-20060247240-A1 Method of treatment and/or prevention of brain, spinal or nerve injury HOFFMANN TORSTEN 2006-11-02 US claimed
EP-1621195-A2 The use of pyridinic NK-1 receptor antagonists for the treatment of brain, spinal or nerve injury F.HOFFMANN-LA ROCHE AG (CH) 2006-02-01 EP claimed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 US claimed
EP-1171419-B1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR HOFFMANN LA ROCHE (CH) 2004-12-29 EP claimed
EP-1406618-A2 USE OF NK-1 RECEPTOR ANTAGONISTS WITH PYRIDINIC STRUCTURE FOR THE TREATMENT OF BRAIN, SPINAL OR NERVE INJURY F. HOFFMANN-LA ROCHE AG (CH) 2004-04-14 EP claimed
EP-1394150-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2004-03-03 EP claimed
EP-1385577-A2 USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA F. Hoffman-la Roche AG (CH) 2004-02-04 EP claimed
US-20030083345-A1 Method of treatment and/or prevention of brain, spinal or nerve injury F. HOFFMANN-LA ROCHE AG (CH) 2003-05-01 US claimed
WO-2003006016-A2 USE OF NK-1 RECEPTOR ANTAGONISTS WITH PYRIDINIC STRUCTURE, FOR THE TREATMENT OF BRAIN, SPINAL OR NERVE INJURY F. HOFFMANN-LA ROCHE AG (CH) 2003-01-23 WO claimed
US-20030004157-A1 Use of NK-1 receptor antagonists against benign prostatic hyperplasia F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 US claimed
WO-2002085458-A2 USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA F. HOFFMAN-LA ROCHE AG (CH) 2002-10-31 WO claimed
US-20020040060-A1 Biphenyl derivatives BOS MICHAEL (CA) 2002-04-04 US claimed
EP-1171419-A1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP claimed
US-6291465-B1 Biphenyl derivatives HOFFMANN-LA ROCHE INC. 2001-09-18 US claimed
WO-2000053572-A1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2000-09-14 WO claimed
EP-1035115-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2000-09-13 EP claimed
US-10201568-B2 Brain, spinal, and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2019-02-12 US disclosed
US-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2018-03-15 US disclosed
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 US disclosed
US-9186404-B2 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2015-11-17 US disclosed
US-20110053954-A1 METHOD OF TREATMENT AND/OR PREVENTION OF BRAIN, SPINAL OR NERVE INJURY HOFFMANN TORSTEN 2011-03-03 US disclosed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 US disclosed
US-20060247240-A1 Method of treatment and/or prevention of brain, spinal or nerve injury HOFFMANN TORSTEN 2006-11-02 US disclosed
EP-1621195-A2 The use of pyridinic NK-1 receptor antagonists for the treatment of brain, spinal or nerve injury F.HOFFMANN-LA ROCHE AG (CH) 2006-02-01 EP disclosed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 US disclosed
EP-1171419-B1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR HOFFMANN LA ROCHE (CH) 2004-12-29 EP disclosed
EP-1406618-A2 USE OF NK-1 RECEPTOR ANTAGONISTS WITH PYRIDINIC STRUCTURE FOR THE TREATMENT OF BRAIN, SPINAL OR NERVE INJURY F. HOFFMANN-LA ROCHE AG (CH) 2004-04-14 EP disclosed
EP-1394150-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2004-03-03 EP disclosed
EP-1385577-A2 USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA F. Hoffman-la Roche AG (CH) 2004-02-04 EP disclosed
US-20030083345-A1 Method of treatment and/or prevention of brain, spinal or nerve injury F. HOFFMANN-LA ROCHE AG (CH) 2003-05-01 US disclosed
US-6552088-B2 2'-methyl-biphenyl-2-carboxylic acid-(3,5-bis-trifluoromethyl-benzyl)-methyl-amide, for example; treating disease related to neurokinin 1 receptor HOFFMANN-LA ROCHE INC. 2003-04-22 US disclosed
WO-2003006016-A2 USE OF NK-1 RECEPTOR ANTAGONISTS WITH PYRIDINIC STRUCTURE, FOR THE TREATMENT OF BRAIN, SPINAL OR NERVE INJURY F. HOFFMANN-LA ROCHE AG (CH) 2003-01-23 WO disclosed
US-20030004157-A1 Use of NK-1 receptor antagonists against benign prostatic hyperplasia F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 US disclosed
US-6479483-B2 3,4,6-SUBSTITUTED PYRIDINE DERIVATIVES USEFUL FOR TREATING DEPRESSION AND PAIN, RESULTING FROM INFLAMMATORY CONDITIONS, SUCH AS MIGRAINE, RHEUMATOID ARTHRITIS, ASTHMA AND INFLAMATORY BOWEL DISEASE; NK1 RECEPTOR ANTAGONIST HOFFMANN-LA ROCHE INC. 2002-11-12 US disclosed
WO-2002085458-A2 USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA F. HOFFMAN-LA ROCHE AG (CH) 2002-10-31 WO disclosed
US-20020091265-A1 4-phenyl-pyridine derivatives BOS MICHAEL (CA) 2002-07-11 US disclosed
US-20020040060-A1 Biphenyl derivatives BOS MICHAEL (CA) 2002-04-04 US disclosed
EP-1171419-A1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP disclosed
US-6297375-B1 4-phenyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2001-10-02 US disclosed
US-6291465-B1 Biphenyl derivatives HOFFMANN-LA ROCHE INC. 2001-09-18 US disclosed
WO-2000053572-A1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2000-09-14 WO disclosed
EP-1035115-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2000-09-13 EP disclosed
EP-1035115-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2000-09-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT TACR1, TACR2, NPSR1 TACR1 1/4885SGMS2 1165/4885
US-20110053954-A1 METHOD OF TREATMENT AND/OR PREVENTION OF BRAIN, SPINAL OR NERVE INJURY NTSR1, NTRK2, NMUR1 TACR1 14/4885SGMS2 1769/4885
US-20050107380-A1 Brain, spinal and nerve injury treatment TACR1, TACR2, NMUR1 TACR1 1/4885SGMS2 1116/4885
US-20030004157-A1 Use of NK-1 receptor antagonists against benign prostatic hyperplasia KLK3, TACR1, TACR2 TACR1 2/4885SGMS2 4882/4885
US-20020040060-A1 Biphenyl derivatives NR1H4, NR1H2, NR1H3 TACR1 16/4885SGMS2 3176/4885
US-20030083345-A1 Method of treatment and/or prevention of brain, spinal or nerve injury NTRK2, NTSR1, NMUR1 TACR1 9/4885SGMS2 1231/4885
US-20060247240-A1 Method of treatment and/or prevention of brain, spinal or nerve injury NTSR1, NTRK2, NMUR1 TACR1 10/4885SGMS2 1664/4885
US-20020091265-A1 4-phenyl-pyridine derivatives CBR1, CBR3, HCCS TACR1 534/4885SGMS2 430/4885
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 TACR1 1/4885SGMS2 1116/4885
US-10201568-B2 Brain, spinal, and nerve injury treatment TACR1, TACR2, NPSR1 TACR1 1/4885SGMS2 1165/4885
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 TACR1 1/4885SGMS2 1116/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.