SCHEMBL3408080

SCHEMBL3408080

CC(C)C(C(=O)N1CCC(c2ccccc2)(N(C)C)CC1)N(C)C(=O)CCc1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.49
OPRM1 P35372 4/20 0.48
CDK4 P11802 1/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GLA P06280 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CCKBR P32239 2/20 0.43
MC5R P33032 2/20 0.43
MC3R P41968 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41

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
SCHEMBL3403076 0.82 HSD17B10 (0.48) OPRL1OPRM1NPSR1KMT2AMEN1
SCHEMBL3404187 0.82 SIGMAR1 (0.42) OPRL1OPRM1KMT2AMEN1
SCHEMBL3405540 0.82 OPRM1 (0.42) OPRL1OPRM1
SCHEMBL3407011 0.78 GAA (0.45) OPRL1OPRM1CDK4MAPTGAA
SCHEMBL3405562 0.78 CDK4 (0.57) OPRL1OPRM1CDK4MAPTGAA
SCHEMBL3409913 0.78 GLA (0.57) OPRL1OPRM1MAPTGAAGLA
SCHEMBL4092770 0.76 NPC1 (0.56) OPRL1OPRM1CDK4MC5RMC3R
SCHEMBL3404124 0.74 KMT2A (0.56) OPRL1OPRM1CDK4MAPTGAA
SCHEMBL3409870 0.74 OPRL1 (0.56) OPRL1OPRM1MAPTGAAGLA
SCHEMBL27588641 0.72 OPRL1 (0.66) OPRL1OPRM1CDK4MAPTGAA

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 OPRL1 25/4885OPRM1 30/4885CDK4 1411/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRL1 25/4885OPRM1 30/4885CDK4 1411/4885

“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.