SCHEMBL3409913

SCHEMBL3409913

CN(C)C1(c2ccccc2)CCN(C(=O)CCNC(=O)CCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.57
OPRL1 P41146 5/20 0.54
OPRM1 P35372 3/20 0.54
KMT2A Q03164 5/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
GFER P55789 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MTNR1A P48039 1/20 0.49

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
SCHEMBL3409870 0.86 OPRL1 (0.56) GLAOPRL1OPRM1KMT2ALMNA
SCHEMBL3410659 0.83 OPRL1 (0.43) GLAOPRL1OPRM1KMT2AMEN1
SCHEMBL3406113 0.82 KMT2A (0.56) OPRL1OPRM1KMT2ABCHEACHE
SCHEMBL3407477 0.82 OPRL1 (0.42) GLAOPRL1OPRM1KMT2AMEN1
SCHEMBL3404124 0.78 KMT2A (0.56) GLAOPRL1OPRM1KMT2ALMNA
SCHEMBL4849056 0.78 OPRL1 (0.64) OPRL1OPRM1BCHEACHEMAPT
SCHEMBL3409871 0.78 OPRL1 (0.59) GLAOPRL1OPRM1KMT2AALDH1A1
SCHEMBL3408080 0.78 OPRL1 (0.49) GLAOPRL1OPRM1KMT2AMEN1
Hydrochloric Acid SCHEMBL4850695 0.78 OPRL1 (0.65) OPRL1OPRM1BCHEACHEMAPT
SCHEMBL2379029 0.77 OPRL1 (0.67) OPRL1OPRM1KMT2ABCHEACHE

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
CN-102015683-A Substituted indole derivatives GRUENENTHAL GMBH 2011-04-13 CN 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
CN-102015683-A Substituted indole derivatives GRUENENTHAL GMBH 2011-04-13 CN 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 GLA 2383/4885OPRL1 25/4885OPRM1 30/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 GLA 2383/4885OPRL1 25/4885OPRM1 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.