SCHEMBL493973

SCHEMBL493973

CN(C)C(c1cccc(F)c1)C1CCC(NC(=O)COCCN(C)S(=O)(=O)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.37
MAPT P10636 2/20 0.35
TRPV4 Q9HBA0 3/20 0.35
BDKRB1 P46663 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
OPRM1 P35372 2/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL492534 0.92 LMNA (0.37) MAPTTRPV4BDKRB1NPC1RAB9A
SCHEMBL492458 0.92 MAPT (0.38) MAPTTRPV4BDKRB1NPC1RAB9A
SCHEMBL493098 0.91 OPRL1 (0.38) OPRL1BDKRB1NPC1RAB9ANPSR1
SCHEMBL493055 0.90 OPRL1 (0.39) OPRL1NPC1RAB9AALDH1A1
SCHEMBL492558 0.90 HTR7 (0.35) OPRL1TRPV4BDKRB1OPRM1
SCHEMBL492545 0.89 BDKRB1 (0.39) OPRL1BDKRB1NPC1RAB9ANPSR1
SCHEMBL493332 0.88 BDKRB1 (0.36) OPRL1TRPV4BDKRB1OPRM1
SCHEMBL492686 0.83 ALDH1A1 (0.41) OPRL1BDKRB1ALDH1A1
SCHEMBL492948 0.82 LMNA (0.37) MAPTBDKRB1NPC1RAB9ANPSR1
SCHEMBL492490 0.82 MAPT (0.39) OPRL1MAPTALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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 (1 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD OPRL1 4/4885MAPT 1653/4885TRPV4 217/4885

“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.