SCHEMBL3407474

SCHEMBL3407474

CN(CCN1CCC(c2cccs2)(N(C)C)CC1)c1c[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.45
OPRL1 P41146 10/20 0.45
HTR6 P50406 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HTR2A P28223 2/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 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
SCHEMBL3405521 0.88 OPRM1 (0.41) OPRM1OPRL1HTR1ADRD2DRD4
SCHEMBL3407142 0.86 HTR1A (0.42) OPRM1OPRL1HTR6HTR2AHTR1A
SCHEMBL3431375 0.86 OPRM1 (0.40) OPRM1OPRL1HTR2ADRD2
SCHEMBL3407473 0.79 OPRM1 (0.46) OPRM1OPRL1HTR6HTR2AHTR1A
SCHEMBL3410673 0.78 TACR2 (0.49) OPRM1OPRL1DRD2DRD3
SCHEMBL3406318 0.76 SMN1; SMN2 (0.51) OPRM1OPRL1HTR1A
SCHEMBL4091551 0.76 OPRM1 (0.44) OPRM1OPRL1HRH3
SCHEMBL3406134 0.74 OPRL1 (0.55) OPRL1
SCHEMBL3401667 0.74 OPRM1 (0.41) OPRM1OPRL1HTR2ADRD2
SCHEMBL3432409 0.74 OPRM1 (0.43) OPRM1OPRL1DRD3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 OPRM1 30/4885OPRL1 25/4885HTR6 8/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRM1 30/4885OPRL1 25/4885HTR6 8/4885

“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.