SCHEMBL3158017

SCHEMBL3158017

O=C(Nc1ccc2cccnc2c1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
ECE1 P42892 7/20 0.46
F10 P00742 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CCR2 P41597 1/20 0.42
BAZ1A Q9NRL2 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
PPARG P37231 1/20 0.41
ROCK1 Q13464 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL3150006 0.93 MAOB (0.49) MAOBECE1F10MEN1KMT2A
SCHEMBL3148861 0.91 MAOB (0.50) MAOBECE1F10CCR2PTGDR2
SCHEMBL2810002 0.89 KDM4E (0.51) MAOBEGLN1MEN1KMT2ABAZ1A
Hydrochloric Acid SCHEMBL2811025 0.88 KDM4E (0.50) MAOBEGLN1MEN1KMT2ABAZ1A
SCHEMBL3150066 0.84 NPC1 (0.52) MAOBECE1F10PTGDR2NOTUM
SCHEMBL3148716 0.84 F10 (0.46) MAOBECE1F10CCR2PTGDR2
SCHEMBL3153688 0.83 MAOB (0.53) MAOBECE1F10ROCK1
SCHEMBL3153257 0.83 MAOB (0.53) MAOBECE1F10CCR2PTGDR2
SCHEMBL1049577 0.83 NPC1 (0.48) MAOBECE1F10CCR2PPARG
SCHEMBL975228 0.83 F10 (0.48) MAOBECE1F10CCR2PTGDR2

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 MAOB 1926/4885ECE1 2717/4885F10 759/4885
US-20080255131-A1 N-(HETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS TRPV1, TRPV3, TRPV2 MAOB 1439/4885ECE1 2605/4885F10 2085/4885

“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.