SCHEMBL3404236

SCHEMBL3404236

CN(C)C1(c2cccs2)CCN(CCNC(=O)Cc2c[nH]c3cc(F)ccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 3/20 0.40
OPRM1 P35372 3/20 0.39
OPRK1 P41145 1/20 0.39
DRD4 P21917 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
OPRL1 P41146 2/20 0.37
USP2 O75604 1/20 0.37
GLA P06280 1/20 0.37
BCHE P06276 2/20 0.37
LTA4H P09960 1/20 0.37
EPHX2 P34913 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
SCHEMBL3408808 0.85 NPSR1 (0.42) OPRM1DRD4SIGMAR1OPRL1
SCHEMBL3406134 0.82 OPRL1 (0.55) MAPTGAAACHEOPRL1USP2
SCHEMBL3403667 0.79 ACHE (0.36) GAASMN1; SMN2ACHEOPRM1OPRK1
SCHEMBL3431374 0.77 HTR1D (0.39) OPRM1OPRL1
SCHEMBL3407473 0.76 OPRM1 (0.46) OPRM1DRD4OPRL1BCHE
SCHEMBL3407505 0.76 NPSR1 (0.39) ACHEOPRM1DRD4SIGMAR1OPRL1
SCHEMBL2866271 0.75 OPRM1 (0.50) OPRM1OPRL1
SCHEMBL3405014 0.74 GAA (0.37) MAPTGAASMN1; SMN2OPRM1OPRL1
SCHEMBL3403594 0.73 HTR1D (0.41) OPRM1OPRL1
SCHEMBL3401797 0.73 OPRM1 (0.44) MAPTACHEOPRM1DRD4SIGMAR1

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 20 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
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
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
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 MAPT 514/4885GAA 2847/4885SMN1; SMN2 1803/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 MAPT 514/4885GAA 2847/4885SMN1; SMN2 1803/4885

“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.