SCHEMBL3401727

SCHEMBL3401727

CN(C)C1(c2cccs2)CCN(C(=O)CC(NCc2c[nH]c3ccccc23)c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
OPRL1 P41146 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 2/20 0.40
GAA P10253 2/20 0.40
SNCA P37840 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TACR2 P21452 4/20 0.39
TACR1 P25103 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 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
SCHEMBL3406999 0.91 SIGMAR1 (0.40) OPRM1OPRL1KMT2AMEN1KDM4E
SCHEMBL3408786 0.91 OPRM1 (0.35) OPRM1OPRL1KMT2APKMGAA
SCHEMBL4109209 0.85 MAPT (0.36) OPRM1OPRL1KMT2AMEN1KDM4E
SCHEMBL3407495 0.83 GAA (0.37) OPRM1OPRL1KMT2AMEN1PKM
SCHEMBL3403667 0.83 ACHE (0.36) OPRM1OPRL1GAASNCANPSR1
SCHEMBL3410164 0.83 OPRM1 (0.35) OPRM1OPRL1KMT2AMEN1ALDH1A1
SCHEMBL3405568 0.82 GAA (0.36) OPRM1OPRL1KMT2AMEN1PKM
SCHEMBL4091868 0.81 PKM (0.38) OPRM1OPRL1KMT2APKMGAA
SCHEMBL4104196 0.81 FAAH (0.39) OPRM1OPRL1HTT
SCHEMBL3406631 0.80 CALCRL (0.40) OPRM1OPRL1

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 12 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
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 25/4885KMT2A 2203/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRM1 30/4885OPRL1 25/4885KMT2A 2203/4885

“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.