SCHEMBL3404748

SCHEMBL3404748

CC(C)C(C(=O)N1CCC(c2ccccc2)(N(C)C)CC1)N(C)Cc1ccc2cc[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.41
FAAH O00519 1/20 0.39
OPRM1 P35372 9/20 0.37
OPRL1 P41146 8/20 0.37
FFAR2 O15552 3/20 0.37
MAPK14 Q16539 2/20 0.37
EPHX1 P07099 1/20 0.37
CYP2D6 P10635 1/20 0.37
EPHX2 P34913 1/20 0.37
NLRP3 Q96P20 1/20 0.37
GHSR Q92847 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL3410140 0.94 EPHX1 (0.42) AGTR2FAAHOPRM1OPRL1MAPK14
SCHEMBL3408086 0.77 FFAR2 (0.38) AGTR2FAAHOPRM1OPRL1FFAR2
SCHEMBL3408818 0.75 OPRM1 (0.44) AGTR2FAAHOPRM1OPRL1FFAR2
SCHEMBL3407006 0.74 SIGMAR1 (0.41) AGTR2FAAHOPRM1OPRL1FFAR2
SCHEMBL3403680 0.72 KDM4E (0.49) FAAH
SCHEMBL3408819 0.72 OPRM1 (0.46) FAAHOPRM1OPRL1FFAR2MAPK14
SCHEMBL3404064 0.71 FAAH (0.41) AGTR2FAAHOPRM1OPRL1MAPK14
SCHEMBL3405575 0.71 FAAH (0.38) FAAHOPRM1OPRL1FFAR2MAPK14
SCHEMBL3409353 0.70 HDAC1 (0.46) OPRM1OPRL1MAPK14GHSRF10
SCHEMBL13735842 0.69 CCR1 (0.47) 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 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 AGTR2 1366/4885FAAH 427/4885OPRM1 30/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 AGTR2 1366/4885FAAH 427/4885OPRM1 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.