SCHEMBL6636504

SCHEMBL6636504

Cc1ccccc1-c1cc(NS(=O)(=O)c2ccccc2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.61
GPBAR1 Q8TDU6 6/20 0.61
CYP3A4 P08684 2/20 0.57
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
SCHEMBL6634782 0.90 TACR1 (0.64) TACR1GPBAR1CYP3A4TACR3
Cyclopropane SCHEMBL5759250 0.85 TACR1 (0.64) TACR1GPBAR1CYP3A4TACR3
SCHEMBL5760126 0.84 TACR1 (0.66) TACR1GPBAR1CYP3A4TACR3
SCHEMBL5758720 0.83 TACR1 (0.65) TACR1GPBAR1CYP3A4TACR3
SCHEMBL5778450 0.82 TACR1 (0.63) TACR1GPBAR1CYP3A4TACR3
SCHEMBL5758248 0.82 TACR1 (0.82) TACR1GPBAR1CYP3A4TACR3
SCHEMBL5781261 0.81 TACR1 (0.62) TACR1GPBAR1CYP3A4TACR3
SCHEMBL1872992 0.81 TACR1 (0.65) TACR1GPBAR1CYP3A4TACR3
SCHEMBL1871566 0.81 TACR1 (0.62) TACR1GPBAR1CYP3A4TACR3
SCHEMBL1876641 0.81 TACR1 (0.65) TACR1GPBAR1CYP3A4TACR3

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 8 patents. 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-1035115-B1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists HOFFMANN LA ROCHE (CH) 2004-09-29 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
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-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 (1 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-20020091265-A1 4-phenyl-pyridine derivatives CBR1, CBR3, HCCS TACR1 534/4885GPBAR1 327/4885CYP3A4 908/4885

“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.