SCHEMBL4099338

SCHEMBL4099338

CN(CC(=O)N1CCC(c2cccs2)(N(C)C)CC1)c1cccc2cc[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.38
OPRL1 P41146 13/20 0.38
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
BCHE P06276 3/20 0.33
IDO1 P14902 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3410162 0.83 OPRM1 (0.36) OPRM1OPRL1MEN1NPC1ALDH1A1
SCHEMBL3410180 0.81 OPRM1 (0.37) OPRM1OPRL1MEN1NPC1ALDH1A1
SCHEMBL27853995 0.77 OPRM1 (0.35) OPRM1OPRL1MEN1NPC1ALDH1A1
SCHEMBL3410164 0.76 OPRM1 (0.35) OPRM1OPRL1MEN1NPC1ALDH1A1
SCHEMBL3409366 0.75 OPRM1 (0.48) OPRM1OPRL1
SCHEMBL3403028 0.73 OPRM1 (0.49) OPRM1OPRL1
SCHEMBL3408780 0.70 OPRM1 (0.36) OPRM1OPRL1ALDH1A1KMT2A
SCHEMBL4104191 0.69 OPRM1 (0.36) OPRM1OPRL1
SCHEMBL3406628 0.68 OPRM1 (0.36) OPRM1OPRL1NPC1MAPTRAB9A
SCHEMBL2202814 0.67 OPRM1 (0.56) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 25/4885MEN1 3427/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRM1 30/4885OPRL1 25/4885MEN1 3427/4885

“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.