SCHEMBL3408084

SCHEMBL3408084

CN(CCN1CCC(c2ccccc2)(N(C)C)CC1)Cc1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.49
HTR2C P28335 7/20 0.49
DRD2 P14416 4/20 0.48
CHRM3 P20309 1/20 0.48
OPRM1 P35372 7/20 0.47
OPRL1 P41146 6/20 0.47
OGFRL1 Q5TC84 2/20 0.41

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
SCHEMBL3405593 0.93 HTR2A (0.49) HTR2AHTR2CDRD2CHRM3OPRM1
SCHEMBL3410692 0.79 OPRL1 (0.65) HTR2ADRD2OPRM1OPRL1
SCHEMBL3405578 0.77 OPRM1 (0.38) OPRM1OPRL1
SCHEMBL3403549 0.75 OPRL1 (0.49) OPRM1OPRL1
SCHEMBL11768433 0.71 HTR2A (0.69) HTR2AHTR2CDRD2OPRL1
SCHEMBL3407006 0.71 SIGMAR1 (0.41) OPRM1OPRL1
Ammonia Solution, Strong SCHEMBL27835975 0.71 HTR2A (0.44) HTR2AHTR2CDRD2CHRM3
SCHEMBL3434090 0.70 SIGMAR1 (0.41) OPRM1OPRL1
SCHEMBL4099911 0.70 OPRL1 (0.51) DRD2OPRM1OPRL1OGFRL1
SCHEMBL3409398 0.70 OPRL1 (0.51) HTR2AHTR2CDRD2OPRM1OPRL1

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 17 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
CN-102015683-A Substituted indole derivatives GRUENENTHAL GMBH 2011-04-13 CN 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
CN-102015683-A Substituted indole derivatives GRUENENTHAL GMBH 2011-04-13 CN 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 HTR2A 12/4885HTR2C 16/4885DRD2 311/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 HTR2A 12/4885HTR2C 16/4885DRD2 311/4885

“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.