SCHEMBL3979074

SCHEMBL3979074

CCOC(=O)c1cc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.52
NOD2 Q9HC29 1/20 0.52
NOD1 Q9Y239 1/20 0.52
CCR2 P41597 1/20 0.51
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PPARG P37231 9/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
S1PR3 Q99500 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
SCHEMBL1054163 0.91 NOD2 (0.55) F10NOD2NOD1CCR2MAPT
SCHEMBL832448 0.89 F10 (0.61) F10NOD2NOD1CCR2LMNA
SCHEMBL12930106 0.87 NOD2 (0.58) F10NOD2NOD1CCR2MAPT
SCHEMBL939884 0.86 F10 (0.52) F10NOD2NOD1CCR2LMNA
SCHEMBL940391 0.85 F10 (0.54) F10NOD2NOD1CCR2LMNA
SCHEMBL941399 0.85 F10 (0.54) F10NOD2NOD1CCR2LMNA
SCHEMBL974474 0.85 CCR2 (0.69) F10CCR2PPARG
SCHEMBL3571653 0.84 NOD2 (0.67) F10NOD2NOD1PPARG
SCHEMBL925921 0.84 F10 (0.51) F10NOD2NOD1CCR2MAPT
SCHEMBL3578136 0.84 PPARG (0.54) F10NOD2NOD1CCR2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557134-B2 N-(heteroaryl)-1H-indole-2-carboxamide derivatives and their use as vanilloid TRPV1 receptor ligands SANOFI-AVENTIS (FR) 2009-07-07 US disclosed
US-20080255131-A1 N-(HETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2008-10-16 US disclosed
US-7407950-B2 N-(heteroaryl)-1H-indole-2-carboxamide derivatives and their use as vanilloid TRPV1 receptor ligands SANOFI-AVENTIS (FR) 2008-08-05 US disclosed
US-20070259946-A1 N-(isoquinol-5-yl)-5-fluoro-1-[((3-trifluoromethyl)phenyl)methyl]-1H-indole-2-carboxamide; transient receptor potential vanilloid (capsaicin receptor) antagonist or agonist; analgesic, antiallergen agent; pain and irritation of the skin, eyes and mucous membrane SANOFI-AVENTIS (FR) 2007-11-08 US 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 (2 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-20070259946-A1 N-(isoquinol-5-yl)-5-fluoro-1-[((3-trifluoromethyl)phenyl)methyl]-1H-indole-2-carboxamide; transient receptor potential vanilloid (capsaicin receptor) antagonist or agonist; analgesic, antiallergen agent; pain and irritation of the skin, eyes and mucous membrane TRPV1, TRPV5, TRPA1 F10 759/4885NOD2 293/4885NOD1 199/4885
US-20080255131-A1 N-(HETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS TRPV1, TRPV3, TRPV2 F10 2085/4885NOD2 264/4885NOD1 205/4885

“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.