SCHEMBL3403650

SCHEMBL3403650

CC(C)C(CC(=O)N1CC(C(=O)N2CCC(c3ccccc3)(N(C)C)CC2)c2ccccc21)c1c[nH]c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.38
OPRM1 P35372 11/20 0.38
HSD11B1 P28845 1/20 0.36
OPRK1 P41145 1/20 0.35
CCR5 P51681 1/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
TACR1 P25103 2/20 0.33
TACR2 P21452 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
TACR3 P29371 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3408116 0.81 GABRA1 (0.43) OPRL1OPRM1HSD11B1OPRK1ALDH1A1
SCHEMBL3407477 0.77 OPRL1 (0.42) OPRL1OPRM1MAPTKMT2AMEN1
SCHEMBL3410202 0.76 OPRM1 (0.41) OPRL1OPRM1HSD11B1OPRK1MAPT
SCHEMBL3401750 0.75 OPRL1 (0.41) OPRL1OPRM1MAPTKMT2AMEN1
SCHEMBL3403507 0.74 GABRA1 (0.44) OPRL1OPRM1HSD11B1OPRK1ALDH1A1
SCHEMBL3409859 0.73 OPRL1 (0.41) OPRL1OPRM1MAPTKMT2AMEN1
SCHEMBL3406045 0.72 OPRL1 (0.45) OPRL1OPRM1OPRK1CCR5
SCHEMBL3410659 0.70 OPRL1 (0.43) OPRL1OPRM1MAPTKMT2AMEN1
SCHEMBL4092689 0.68 FAAH (0.41) OPRL1OPRM1
SCHEMBL3429858 0.68 MGLL (0.43) OPRL1OPRM1HSD11B1CCR5

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 30/4885HSD11B1 300/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRL1 25/4885OPRM1 30/4885HSD11B1 300/4885

“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.