SCHEMBL3403619

SCHEMBL3403619

CN(CCN1CCC(c2ccccc2)(N(C)C)CC1)C(=O)c1ccc2ccn(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
OPRM1 P35372 9/20 0.39
OPRL1 P41146 8/20 0.39
KDM2B Q8NHM5 1/20 0.39
FAAH O00519 1/20 0.39
CHRNA7 P36544 1/20 0.39
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
SSTR5 P35346 1/20 0.37
DRD4 P21917 1/20 0.37
HTR7 P34969 1/20 0.36

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
SCHEMBL3407837 0.94 HTR7 (0.41) OPRM1OPRL1KDM2BFAAHCHRNA7
SCHEMBL3410705 0.87 HRH3 (0.43) HRH3OPRM1OPRL1KDM2BFAAH
SCHEMBL3401680 0.82 ALDH1A1 (0.44) HRH3OPRM1OPRL1TACR2TACR1
SCHEMBL3409892 0.80 OPRM1 (0.43) OPRM1OPRL1KDM2BCHRNA7SSTR5
SCHEMBL3407862 0.80 KDM2B (0.38) OPRM1KDM2BFAAHCHRNA7SSTR5
SCHEMBL3403595 0.79 HRH3 (0.42) HRH3OPRM1OPRL1HTR7
SCHEMBL2333169 0.77 HRH3 (0.54) HRH3OPRM1OPRL1
SCHEMBL3409394 0.77 ALDH1A1 (0.42) OPRM1OPRL1TACR2TACR1HTR7
SCHEMBL3407834 0.76 HDAC3 (0.47) OPRM1OPRL1FAAHCHRNA7
SCHEMBL3409649 0.72 CDK4 (0.46) HRH3OPRM1OPRL1TACR2

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 20 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
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
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
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
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US 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
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
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US 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 HRH3 405/4885OPRM1 30/4885OPRL1 25/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 HRH3 405/4885OPRM1 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.