SCHEMBL905350

SCHEMBL905350

Cc1ccccc1-c1cc(N(C)CCN2CCOCC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.65
GPBAR1 Q8TDU6 2/20 0.47
TACR3 P29371 1/20 0.43

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
SCHEMBL5781482 0.88 TACR1 (0.65) TACR1GPBAR1
SCHEMBL905354 0.85 TACR1 (0.83) TACR1GPBAR1
SCHEMBL5782949 0.83 TACR1 (0.65) TACR1GPBAR1
SCHEMBL4134901 0.80 TACR1 (0.71) TACR1GPBAR1TACR3
SCHEMBL905333 0.79 TACR1 (0.85) TACR1GPBAR1
SCHEMBL905384 0.79 TACR1 (0.85) TACR1GPBAR1
SCHEMBL6635192 0.79 CYP1A2 (0.45) GPBAR1
SCHEMBL29467378 0.79 TACR1 (1.00) TACR1GPBAR1
SCHEMBL905330 0.79 TACR1 (1.00) TACR1GPBAR1
SCHEMBL5780298 0.79 TACR1 (0.71) TACR1GPBAR1

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 56 patents — showing the first 20. 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
EP-1776342-B1 PROCESS FOR PREPARING CARBOXAMIDE PYRIDINE DERIVATIVES USED AS INTERMEDIATES IN THE SYNTHESIS OF NK-1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-03-02 EP claimed
EP-1394150-B1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists HOFFMANN LA ROCHE (CH) 2011-01-19 EP claimed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 US claimed
US-7384939-B2 Process for preparation of pyridine derivatives of NK-1 receptor antagonist ROCHE COLORADO CORPORATION (US) 2008-06-10 US claimed
EP-1656351-B1 PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-12-19 EP claimed
EP-1776342-A1 PROCESS FOR PREPARING CARBOXAMIDE PYRIDINE DERIVATIVES USED AS INTERMEDIATES IN THE SYNTHESIS OF NK-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-25 EP claimed
US-20060247240-A1 Method of treatment and/or prevention of brain, spinal or nerve injury HOFFMANN TORSTEN 2006-11-02 US claimed
EP-1656351-A1 PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 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
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 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-20020091265-A1 4-phenyl-pyridine derivatives BOS MICHAEL (CA) 2002-07-11 US claimed
US-6297375-B1 4-phenyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2001-10-02 US 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

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

For each of this compound's patents that has machine-readable text (7 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-20110053954-A1 METHOD OF TREATMENT AND/OR PREVENTION OF BRAIN, SPINAL OR NERVE INJURY NTSR1, NTRK2, NMUR1 TACR1 14/4885GPBAR1 430/4885TACR3 25/4885
US-20030004157-A1 Use of NK-1 receptor antagonists against benign prostatic hyperplasia KLK3, TACR1, TACR2 TACR1 2/4885GPBAR1 84/4885TACR3 124/4885
US-20030083345-A1 Method of treatment and/or prevention of brain, spinal or nerve injury NTRK2, NTSR1, NMUR1 TACR1 9/4885GPBAR1 333/4885TACR3 50/4885
US-20060247240-A1 Method of treatment and/or prevention of brain, spinal or nerve injury NTSR1, NTRK2, NMUR1 TACR1 10/4885GPBAR1 457/4885TACR3 21/4885
US-20020091265-A1 4-phenyl-pyridine derivatives CBR1, CBR3, HCCS TACR1 534/4885GPBAR1 327/4885TACR3 551/4885
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 TACR1 1/4885GPBAR1 326/4885TACR3 50/4885
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 TACR1 1/4885GPBAR1 326/4885TACR3 50/4885

“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.