SCHEMBL3410673

SCHEMBL3410673

CN(CCCN1CCC(c2cccs2)(N(C)C)CC1)C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.49
OPRL1 P41146 3/20 0.44
OPRM1 P35372 2/20 0.44
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
THPO P40225 1/20 0.39
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL3406318 0.84 SMN1; SMN2 (0.51) TACR2OPRL1OPRM1ALDH1A1CDK4
SCHEMBL3401667 0.83 OPRM1 (0.41) TACR2OPRL1OPRM1DRD2
SCHEMBL3407998 0.82 OPRM1 (0.40) TACR2OPRL1OPRM1DRD2
SCHEMBL3409649 0.80 CDK4 (0.46) TACR2OPRL1OPRM1ALDH1A1CYP1A2
SCHEMBL3405044 0.80 OPRM1 (0.43) OPRL1OPRM1CTNNB1WNT3AALDH1A1
SCHEMBL2866221 0.80 OPRM1 (0.55) OPRL1OPRM1ALDH1A1TSHR
SCHEMBL3410127 0.79 OPRM1 (0.44) TACR2OPRL1OPRM1
SCHEMBL3407474 0.78 OPRM1 (0.45) OPRL1OPRM1DRD2DRD3
SCHEMBL3408808 0.76 NPSR1 (0.42) TACR2OPRL1OPRM1DRD2
SCHEMBL4102115 0.75 ATM (0.48) OPRL1OPRM1DRD2DRD3

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 16 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
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 TACR2 2738/4885OPRL1 25/4885OPRM1 30/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 TACR2 2738/4885OPRL1 25/4885OPRM1 30/4885

“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.