SCHEMBL3407828

SCHEMBL3407828

CN(C(=O)c1ccc2cc[nH]c2c1)C(C(=O)N1CCC(c2cccs2)(N(C)C)CC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.43
GHSR Q92847 7/20 0.39
OPRM1 P35372 3/20 0.37
OPRL1 P41146 2/20 0.37
MAPK14 Q16539 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
ENPP2 Q13822 1/20 0.35
MAPT P10636 2/20 0.35
ACACA Q13085 1/20 0.34
USP19 O94966 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL3408086 0.85 FFAR2 (0.38) F10GHSROPRM1OPRL1MAPK14
SCHEMBL3405076 0.84 OPRM1 (0.36) OPRM1OPRL1MAPK14ALDH1A1USP19
SCHEMBL3405575 0.81 FAAH (0.38) F10OPRM1OPRL1MAPK14MAPT
SCHEMBL4103889 0.79 F10 (0.44) F10GHSROPRM1OPRL1MAPK14
SCHEMBL4104191 0.76 OPRM1 (0.36) F10GHSROPRM1OPRL1MAPK14
SCHEMBL3405044 0.75 OPRM1 (0.43) GHSROPRM1OPRL1MAPK14KDM4E
SCHEMBL4104196 0.74 FAAH (0.39) F10OPRM1OPRL1MAPK14
SCHEMBL3407011 0.74 GAA (0.45) OPRM1OPRL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3407505 0.74 NPSR1 (0.39) OPRM1OPRL1
SCHEMBL3431326 0.73 OPRM1 (0.48) OPRM1OPRL1ALDH1A1MAPTOPRD1

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 12 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
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US 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
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
EP-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US 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 (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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 F10 4200/4885GHSR 3514/4885OPRM1 30/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 F10 4200/4885GHSR 3514/4885OPRM1 30/4885

“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.