SCHEMBL5758941

SCHEMBL5758941

Cc1ccccc1-c1cc(N)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.76
TACR1 P25103 14/20 0.71
CYP3A4 P08684 2/20 0.63
TACR3 P29371 2/20 0.57

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
SCHEMBL5781472 0.88 TACR1 (0.72) GPBAR1TACR1CYP3A4TACR3
SCHEMBL6634454 0.88 TACR1 (0.72) GPBAR1TACR1CYP3A4TACR3
SCHEMBL5758229 0.88 TACR1 (0.68) GPBAR1TACR1CYP3A4TACR3
SCHEMBL337006 0.88 GPBAR1 (0.76) GPBAR1TACR1CYP3A4TACR3
SCHEMBL30376925 0.88 GPBAR1 (0.76) GPBAR1TACR1CYP3A4TACR3
SCHEMBL30646397 0.88 TACR1 (0.71) GPBAR1TACR1CYP3A4TACR3
SCHEMBL5781676 0.88 TACR1 (0.71) GPBAR1TACR1CYP3A4TACR3
SCHEMBL5780641 0.87 TACR1 (0.70) GPBAR1TACR1CYP3A4TACR3
SCHEMBL5759977 0.87 TACR1 (0.70) GPBAR1TACR1CYP3A4TACR3
SCHEMBL12097410 0.86 GPBAR1 (1.00) GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1309559-B1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-06-07 EP disclosed
EP-1305319-B1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-04-05 EP disclosed
CN-1192032-C 4-phenyl-pyridine derivatives as neurokinin-1 receptor antagonists HOFFMANN LA ROCHE (CH) 2005-03-09 CN disclosed
EP-1035115-B1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists HOFFMANN LA ROCHE (CH) 2004-09-29 EP disclosed
US-6770637-B2 N-(3,5-BIS-TRIFLUOROMETHYL-BENZYL)-6-(4-HYDROXYACETYL-PIPERAZIN-1 -YL)-N-METHYL-4-O-TOLYL-NICOTINAMIDE, FOR EXAMPLE HOFFMANN-LA ROCHE INC. 2004-08-03 US 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
CN-1444589-A 4-phenyl-pyridine derivatives as neurokinin-1 receptor antagonists HOFFMANN LA ROCHE (CH) 2003-09-24 CN disclosed
US-6624176-B2 Heteroaromatic substituted amide showing antagonist activity to neurokinin 1 (NK-1, substance P) receptors for nervous system disorders and antidepressants HOFFMANN-LA ROCHE INC. 2003-09-23 US disclosed
US-20030130508-A1 Heteroaromatic substituted amides with antagonistic activity to neurokinin 1 receptors HOFFMANN TORSTEN (DE) 2003-07-10 US disclosed
EP-1305319-A1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-02 EP 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
US-20020091265-A1 4-phenyl-pyridine derivatives BOS MICHAEL (CA) 2002-07-11 US disclosed
US-20020040040-A1 Substituted 4-phenyl-pyridine compounds with activity as antagonists of neurokinin 1 receptors F. HOFFMAN-LA ROCHE AG (CH) 2002-04-04 US 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-2002016324-A1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-28 WO disclosed
WO-2002008232-A1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 WO disclosed
US-6297375-B1 4-phenyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2001-10-02 US 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 (4 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-20020040040-A1 Substituted 4-phenyl-pyridine compounds with activity as antagonists of neurokinin 1 receptors NPSR1, NTSR1, NTSR2 GPBAR1 430/4885TACR1 4/4885CYP3A4 1861/4885
US-20030130508-A1 Heteroaromatic substituted amides with antagonistic activity to neurokinin 1 receptors TACR1, NPSR1, TACR2 GPBAR1 539/4885TACR1 1/4885CYP3A4 1538/4885
US-20020091265-A1 4-phenyl-pyridine derivatives CBR1, CBR3, HCCS GPBAR1 327/4885TACR1 534/4885CYP3A4 908/4885
US-20020038030-A1 Heteroaromatic substituted amides with antagonistic activity to neurokinin 1 receptors TACR1, NPSR1, TACR2 GPBAR1 539/4885TACR1 1/4885CYP3A4 1538/4885

“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.