SCHEMBL3431374

SCHEMBL3431374

CC(C)c1ccc2c(CNCCN3CCC(c4cccs4)(N(C)C)CC3)c[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.39
HTR1B P28222 5/20 0.39
OPRM1 P35372 7/20 0.38
OPRL1 P41146 7/20 0.38
ALKBH5 Q6P6C2 3/20 0.33
FTO Q9C0B1 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MC5R P33032 1/20 0.31
MC3R P41968 1/20 0.31
MC1R Q01726 1/20 0.31

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
SCHEMBL3407473 0.87 OPRM1 (0.46) OPRM1OPRL1FTOMC5RMC3R
SCHEMBL3427309 0.84 OPRM1 (0.42) HTR1DHTR1BOPRM1OPRL1
SCHEMBL3403594 0.83 HTR1D (0.41) HTR1DHTR1BOPRM1OPRL1
SCHEMBL3431375 0.82 OPRM1 (0.40) HTR1DHTR1BOPRM1OPRL1
SCHEMBL3403666 0.81 HTR2A (0.47)
SCHEMBL3404236 0.77 MAPT (0.43) OPRM1OPRL1
SCHEMBL3432407 0.73 OPRM1 (0.41) HTR1DHTR1BOPRM1OPRL1ALKBH5
SCHEMBL3406134 0.71 OPRL1 (0.55) OPRL1
SCHEMBL3408690 0.71 OPRL1 (0.49) HTR1DHTR1BOPRM1OPRL1
SCHEMBL14927121 0.71 OPRM1 (0.55) OPRM1OPRL1ALDH1A1

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 17 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
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
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 HTR1D 36/4885HTR1B 35/4885OPRM1 30/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 HTR1D 36/4885HTR1B 35/4885OPRM1 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.