SCHEMBL3432409

SCHEMBL3432409

CN(CCN1CCC(c2cccs2)(N(C)C)CC1)c1ccc2[nH]ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.43
OPRL1 P41146 10/20 0.43
DRD3 P35462 1/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
LTA4H P09960 1/20 0.34
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
HTR7 P34969 2/20 0.32
CCR2 P41597 1/20 0.32

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
SCHEMBL3432407 0.80 OPRM1 (0.41) OPRM1OPRL1DRD3LTA4H
SCHEMBL3405521 0.76 OPRM1 (0.41) OPRM1OPRL1DRD3SLC6A4
SCHEMBL3407142 0.75 HTR1A (0.42) OPRM1OPRL1DRD3HTR7
SCHEMBL3405044 0.74 OPRM1 (0.43) OPRM1OPRL1CTNNB1WNT3A
SCHEMBL3407474 0.74 OPRM1 (0.45) OPRM1OPRL1DRD3
SCHEMBL3406628 0.73 OPRM1 (0.36) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL3431375 0.71 OPRM1 (0.40) OPRM1OPRL1HTR7
SCHEMBL13139593 0.71 OPRM1 (0.57) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL27835991 0.71 OPRM1 (0.57) OPRM1OPRL1SLC6A2
Hydrochloric Acid SCHEMBL3061578 0.70 OPRM1 (0.56) OPRM1OPRL1SLC6A2SLC6A3

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
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
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 25/4885DRD3 332/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRM1 30/4885OPRL1 25/4885DRD3 332/4885

“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.