SCHEMBL3408086

SCHEMBL3408086

CN(Cc1ccc2cc[nH]c2c1)C(C(=O)N1CCC(c2cccs2)(N(C)C)CC1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.38
OPRM1 P35372 5/20 0.37
OPRL1 P41146 5/20 0.37
FAAH O00519 1/20 0.37
AGTR2 P50052 1/20 0.37
F10 P00742 2/20 0.36
MAPK14 Q16539 2/20 0.35
NLRP3 Q96P20 1/20 0.34
GHSR Q92847 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL3405575 0.94 FAAH (0.38) FFAR2OPRM1OPRL1FAAHF10
SCHEMBL3407828 0.85 F10 (0.43) OPRM1OPRL1F10MAPK14GHSR
SCHEMBL4104196 0.81 FAAH (0.39) FFAR2OPRM1OPRL1FAAHAGTR2
SCHEMBL4104191 0.78 OPRM1 (0.36) FFAR2OPRM1OPRL1AGTR2F10
SCHEMBL3404748 0.77 AGTR2 (0.41) FFAR2OPRM1OPRL1FAAHAGTR2
SCHEMBL4103889 0.76 F10 (0.44) OPRM1OPRL1F10MAPK14GHSR
SCHEMBL3406631 0.75 CALCRL (0.40) OPRM1OPRL1FAAHMAPK14
SCHEMBL3406628 0.74 OPRM1 (0.36) OPRM1OPRL1FAAHMAPK14OPRD1
SCHEMBL3407011 0.72 GAA (0.45) OPRM1OPRL1
SCHEMBL3407505 0.72 NPSR1 (0.39) OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US claimed
EP-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP claimed
EP-2254883-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2010-12-01 EP claimed
WO-2009103552-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-08-27 WO claimed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US claimed
EP-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP disclosed
EP-2254883-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2010-12-01 EP disclosed
WO-2009103552-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-08-27 WO disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 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 (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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 FFAR2 1535/4885OPRM1 30/4885OPRL1 25/4885

“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.