SCHEMBL3403549

SCHEMBL3403549

CN(CCN1CCC(c2ccccc2)(N(C)C)CC1)Cc1cccc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.49
OPRM1 P35372 10/20 0.49
BCHE P06276 3/20 0.49
SIGMAR1 Q99720 1/20 0.45
ACHE P22303 2/20 0.40
OPRK1 P41145 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL3410692 0.87 OPRL1 (0.65) OPRL1OPRM1BCHESIGMAR1ACHE
SCHEMBL3408077 0.86 BCHE (0.48) OPRL1OPRM1BCHESIGMAR1ACHE
SCHEMBL3409919 0.80 BCHE (0.47) OPRL1OPRM1BCHESIGMAR1ACHE
SCHEMBL3407006 0.79 SIGMAR1 (0.41) OPRL1OPRM1SIGMAR1OPRK1
SCHEMBL3434090 0.78 SIGMAR1 (0.41) OPRL1OPRM1SIGMAR1
SCHEMBL4099911 0.78 OPRL1 (0.51) OPRL1OPRM1BCHESIGMAR1ACHE
SCHEMBL3409398 0.78 OPRL1 (0.51) OPRL1OPRM1BCHEACHELMNA
SCHEMBL3408009 0.77 HTR6 (0.55) OPRL1OPRM1
SCHEMBL3408690 0.77 OPRL1 (0.49) OPRL1OPRM1BCHESIGMAR1ACHE
SCHEMBL3408084 0.75 HTR2A (0.49) OPRL1OPRM1

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 30/4885BCHE 2840/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRL1 25/4885OPRM1 30/4885BCHE 2840/4885

“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.