SCHEMBL3148716

SCHEMBL3148716

O=C(Nc1ccc2[nH]cnc2c1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.46
ECE1 P42892 7/20 0.45
XDH P47989 1/20 0.44
MAOB P27338 1/20 0.43
CCR2 P41597 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
ROCK1 Q13464 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
ABCB1 P08183 1/20 0.39

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
SCHEMBL3158442 0.93 TP53 (0.48) F10ECE1XDHMAOBCCR2
SCHEMBL3154874 0.86 F10 (0.46) F10ECE1MAOBCCR2PTGS1
SCHEMBL3148861 0.85 MAOB (0.50) F10ECE1MAOBCCR2SMN1; SMN2
SCHEMBL3153567 0.85 ECE1 (0.48) F10ECE1MAOBCCR2PTGDR2
SCHEMBL3580566 0.84 NPC1 (0.52) F10ECE1MAOBCCR2PTGS1
SCHEMBL3158017 0.84 MAOB (0.47) F10ECE1MAOBCCR2PTGDR2
SCHEMBL3150066 0.83 NPC1 (0.52) F10ECE1MAOBSMN1; SMN2PTGDR2
SCHEMBL926597 0.82 F10 (0.44) F10ECE1MAOBCCR2PTGS1
SCHEMBL3150006 0.82 MAOB (0.49) F10ECE1MAOBCCR2POLB
SCHEMBL3153583 0.81 ECE1 (0.48) F10ECE1MAOBCCR2POLB

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-1841737-B1 N-(HETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2010-03-10 EP claimed
EP-1841737-B1 N-(HETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2010-03-10 EP disclosed
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 759/4885ECE1 2717/4885XDH 724/4885
US-20080255131-A1 N-(HETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS TRPV1, TRPV3, TRPV2 F10 2085/4885ECE1 2605/4885XDH 491/4885

“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.