SCHEMBL3154176

SCHEMBL3154176

CN1CCc2cc(N)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KDM4E B2RXH2 2/20 0.49
ATAD2 Q6PL18 1/20 0.49
RAD52 P43351 1/20 0.49
ALDH1A1 P00352 5/20 0.46
GAA P10253 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.46
NOTUM Q6P988 2/20 0.44
WDR5 P61964 1/20 0.44
PTK2B Q14289 2/20 0.43
THRB P10828 1/20 0.43
NR4A1 P22736 1/20 0.43
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL2333530 1.00 MAPT (0.49) MAPTKDM4EATAD2RAD52ALDH1A1
Hydrochloric Acid SCHEMBL31035874 0.98 MAPT (0.51) MAPTKDM4EATAD2RAD52ALDH1A1
SCHEMBL30464716 0.90 ALDH1A1 (0.58) MAPTKDM4EATAD2RAD52ALDH1A1
SCHEMBL1453685 0.90 ALDH1A1 (0.58) MAPTKDM4EATAD2RAD52ALDH1A1
Hydrochloric Acid SCHEMBL12500827 0.89 MAPT (0.57) MAPTKDM4EATAD2RAD52ALDH1A1
Hydrochloric Acid SCHEMBL7405088 0.89 MAPT (0.57) MAPTKDM4EATAD2RAD52ALDH1A1
SCHEMBL2064020 0.89 MAPT (0.53) MAPTKDM4EATAD2RAD52ALDH1A1
SCHEMBL3999191 0.83 MAPT (0.44) MAPTKDM4EATAD2RAD52ALDH1A1
SCHEMBL21671853 0.81 KDM4E (0.51) MAPTKDM4EATAD2RAD52ALDH1A1
SCHEMBL2616784 0.81 NOTUM (0.58) MAPTKDM4EALDH1A1GAAKMT2A

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 7 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 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
EP-1841737-A1 N-(HETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS Sanofi-Aventis (FR) 2007-10-10 EP disclosed
WO-2006072736-A1 N- (HETEROARYL) -1H-INDOLE-2-CARB0XAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2006-07-13 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 (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 MAPT 3996/4885KDM4E 2297/4885ATAD2 2273/4885
US-20080255131-A1 N-(HETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS TRPV1, TRPV3, TRPV2 MAPT 3392/4885KDM4E 3489/4885ATAD2 2633/4885

“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.