SCHEMBL3404064

SCHEMBL3404064

CN(C)C1(c2ccccc2)CCN(C(=O)C2CN(Cc3ccc4cc[nH]c4c3)c3ccccc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
AGTR2 P50052 1/20 0.37
MAPK14 Q16539 2/20 0.36
OPRM1 P35372 11/20 0.36
OPRL1 P41146 10/20 0.36
EPHX1 P07099 1/20 0.35
CYP2D6 P10635 1/20 0.35
EPHX2 P34913 1/20 0.35
CACNA1G O43497 2/20 0.35
CACNA1H O95180 2/20 0.35
CACNA1I Q9P0X4 2/20 0.35
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL4092689 0.94 FAAH (0.41) FAAHMAPK14OPRM1OPRL1EPHX1
SCHEMBL3406045 0.83 OPRL1 (0.45) MAPK14OPRM1OPRL1
SCHEMBL3403680 0.79 KDM4E (0.49) FAAH
SCHEMBL3403070 0.73 KDM4E (0.48) FAAH
SCHEMBL3408818 0.72 OPRM1 (0.44) FAAHAGTR2MAPK14OPRM1OPRL1
SCHEMBL3404748 0.71 AGTR2 (0.41) FAAHAGTR2MAPK14OPRM1OPRL1
SCHEMBL3406183 0.70 ALDH1A1 (0.54) MAPK14
SCHEMBL3408819 0.69 OPRM1 (0.46) FAAHMAPK14OPRM1OPRL1
SCHEMBL3408602 0.68 RIPK1 (0.36) FAAHMAPK14OPRM1OPRL1
SCHEMBL3410202 0.68 OPRM1 (0.41) 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 FAAH 427/4885AGTR2 1366/4885MAPK14 2688/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 FAAH 427/4885AGTR2 1366/4885MAPK14 2688/4885

“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.