SCHEMBL1869995

SCHEMBL1869995

CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(NCCO)cc1-c1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 1.00
TACR3 P29371 18/20 1.00

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
SCHEMBL1870986 0.91 TACR1 (0.84) TACR1TACR3
SCHEMBL1869169 0.91 TACR1 (0.83) TACR1TACR3
SCHEMBL1878743 0.91 TACR1 (0.82) TACR1TACR3
SCHEMBL1872885 0.91 TACR1 (0.82) TACR1TACR3
SCHEMBL1876512 0.90 TACR1 (0.82) TACR1TACR3
SCHEMBL5758248 0.90 TACR1 (0.82) TACR1TACR3
SCHEMBL1871017 0.90 TACR1 (0.81) TACR1TACR3
SCHEMBL1873722 0.90 TACR1 (0.81) TACR1TACR3
SCHEMBL1874926 0.89 TACR1 (0.81) TACR1TACR3
SCHEMBL1871912 0.89 TACR1 (0.81) TACR1TACR3

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305319-B1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-04-05 EP 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
CN-1192032-C 4-phenyl-pyridine derivatives as neurokinin-1 receptor antagonists HOFFMANN LA ROCHE (CH) 2005-03-09 CN 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-1385577-A2 USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA F. Hoffman-la Roche AG (CH) 2004-02-04 EP claimed
CN-1444589-A 4-phenyl-pyridine derivatives as neurokinin-1 receptor antagonists HOFFMANN LA ROCHE (CH) 2003-09-24 CN claimed
EP-1305319-A1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-02 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
WO-2002008232-A1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 WO claimed
US-8404708-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2011-07-21 US disclosed
US-7939533-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-05-10 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-20030004157-A1 Use of NK-1 receptor antagonists against benign prostatic hyperplasia F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 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-20020038030-A1 Heteroaromatic substituted amides with antagonistic activity to neurokinin 1 receptors F.HOFFMANN-LA ROCHE AG (CH) 2002-03-28 US disclosed
WO-2002008232-A1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 WO 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 (5 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 14/4885TACR3 25/4885
US-20030004157-A1 Use of NK-1 receptor antagonists against benign prostatic hyperplasia KLK3, TACR1, TACR2 TACR1 2/4885TACR3 124/4885
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, TAC3, TACR1 TACR1 3/4885TACR3 4/4885
US-20030083345-A1 Method of treatment and/or prevention of brain, spinal or nerve injury NTRK2, NTSR1, NMUR1 TACR1 9/4885TACR3 50/4885
US-20020038030-A1 Heteroaromatic substituted amides with antagonistic activity to neurokinin 1 receptors TACR1, NPSR1, TACR2 TACR1 1/4885TACR3 11/4885

“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.