SCHEMBL6869124

SCHEMBL6869124

COc1ccccc1-c1ccccc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.70
GPBAR1 Q8TDU6 7/20 0.58
TACR3 P29371 4/20 0.48
CETP P11597 1/20 0.47

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
SCHEMBL6870653 0.88 TACR1 (0.76) TACR1GPBAR1TACR3
Hydrochloric Acid SCHEMBL6862620 0.87 TACR1 (0.74) TACR1GPBAR1TACR3
SCHEMBL6862826 0.84 TACR1 (0.77) TACR1GPBAR1
SCHEMBL6862560 0.83 TACR1 (0.73) TACR1GPBAR1TACR3
SCHEMBL6867420 0.83 TACR1 (0.73) TACR1GPBAR1TACR3
SCHEMBL5741613 0.80 TACR1 (0.65) TACR1TACR3
SCHEMBL6872778 0.79 TACR1 (0.70) TACR1GPBAR1TACR3
SCHEMBL6873241 0.79 TACR1 (0.67) TACR1GPBAR1TACR3
SCHEMBL5740243 0.79 TACR1 (0.60) TACR1TACR3
SCHEMBL5740625 0.78 TACR1 (0.69) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171419-B1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR HOFFMANN LA ROCHE (CH) 2004-12-29 EP 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
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-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

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-20020040060-A1 Biphenyl derivatives NR1H4, NR1H2, NR1H3 TACR1 16/4885GPBAR1 5/4885TACR3 106/4885

“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.