SCHEMBL3401680

SCHEMBL3401680

CN(CCN1CCC(c2ccccc2)(N(C)C)CC1)C(=O)c1ccc2cc[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
MAPK14 Q16539 1/20 0.44
HSD17B10 Q99714 4/20 0.43
GHSR Q92847 3/20 0.42
HRH3 Q9Y5N1 2/20 0.41
HPGD P15428 1/20 0.41
ENPP2 Q13822 1/20 0.41
OPRM1 P35372 5/20 0.39
OPRL1 P41146 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TACR2 P21452 2/20 0.38
TACR1 P25103 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
DRD4 P21917 1/20 0.37

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
SCHEMBL3409394 0.94 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTMAPK14HSD17B10
SCHEMBL3403655 0.87 HRH3 (0.43) ALDH1A1KDM4EMAPTMAPK14HSD17B10
SCHEMBL3403619 0.82 HRH3 (0.41) HRH3OPRM1OPRL1TACR2TACR1
SCHEMBL3405044 0.80 OPRM1 (0.43) ALDH1A1KDM4EMAPTMAPK14HSD17B10
SCHEMBL3410197 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTMAPK14HSD17B10
SCHEMBL3407006 0.79 SIGMAR1 (0.41) OPRM1OPRL1OPRK1
SCHEMBL3409649 0.78 CDK4 (0.46) ALDH1A1MAPK14HRH3OPRM1OPRL1
SCHEMBL2333169 0.77 HRH3 (0.54) HRH3OPRM1OPRL1OPRK1
SCHEMBL3407837 0.77 HTR7 (0.41) OPRM1OPRL1TACR2TACR1
SCHEMBL3405581 0.74 ATM (0.57) ALDH1A1KDM4EHSD17B10HPGDOPRM1

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 18 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
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
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 ALDH1A1 886/4885KDM4E 2535/4885MAPT 514/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 ALDH1A1 886/4885KDM4E 2535/4885MAPT 514/4885

“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.