SCHEMBL3405575

SCHEMBL3405575

CN(Cc1ccc2[nH]ccc2c1)C(C(=O)N1CCC(c2cccs2)(N(C)C)CC1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
OPRM1 P35372 3/20 0.36
OPRL1 P41146 3/20 0.36
EPHX1 P07099 1/20 0.36
CYP2D6 P10635 1/20 0.36
EPHX2 P34913 1/20 0.36
MAPK14 Q16539 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
FFAR2 O15552 2/20 0.33
NAMPT P43490 1/20 0.33
KLKB1 P03952 1/20 0.33
NR3C1 P04150 1/20 0.33
F10 P00742 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 0.94 FFAR2 (0.38) FAAHOPRM1OPRL1MAPK14FFAR2
SCHEMBL3407828 0.81 F10 (0.43) OPRM1OPRL1MAPK14MAPTF10
SCHEMBL3406631 0.81 CALCRL (0.40) FAAHOPRM1OPRL1EPHX1CYP2D6
SCHEMBL3406628 0.78 OPRM1 (0.36) FAAHOPRM1OPRL1EPHX1CYP2D6
SCHEMBL3410140 0.77 EPHX1 (0.42) FAAHOPRM1OPRL1EPHX1CYP2D6
SCHEMBL4104196 0.75 FAAH (0.39) FAAHOPRM1OPRL1EPHX1CYP2D6
SCHEMBL4104191 0.74 OPRM1 (0.36) OPRM1OPRL1MAPK14FFAR2F10
SCHEMBL3406644 0.72 SIGMAR1 (0.41) OPRM1OPRL1SLC6A4
SCHEMBL4103889 0.72 F10 (0.44) OPRM1OPRL1MAPK14LMNAMAPT
SCHEMBL3407011 0.71 GAA (0.45) OPRM1OPRL1LMNAMAPT

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 FAAH 427/4885OPRM1 30/4885OPRL1 25/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 FAAH 427/4885OPRM1 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.