SCHEMBL701023

SCHEMBL701023

CCOC(=O)C1(c2cccnc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.63
OPRD1 P41143 7/20 0.63
OPRK1 P41145 6/20 0.63
KDM4E B2RXH2 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
KCNA3 P22001 2/20 0.60
SLC22A1 O15245 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRA1A P35348 1/20 0.57
KCNH2 Q12809 1/20 0.57
MAPT P10636 1/20 0.55

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
SCHEMBL11282136 0.89 OPRM1 (0.80) OPRM1OPRD1OPRK1KDM4ENPSR1
SCHEMBL6422989 0.85 CHRM2 (0.59) OPRM1OPRD1OPRK1KDM4E
SCHEMBL23535169 0.84 KDM4E (0.59) OPRM1OPRD1OPRK1KDM4ENPSR1
SCHEMBL29664779 0.83 OPRM1 (0.56) OPRM1OPRD1OPRK1KCNA3SLC22A1
SCHEMBL2005769 0.83 OPRM1 (0.56) OPRM1OPRD1OPRK1KCNA3SLC22A1
SCHEMBL13658282 0.83 OPRM1 (0.56) OPRM1OPRD1OPRK1KCNA3SLC22A1
SCHEMBL3411033 0.83 CHRM2 (0.57) OPRM1OPRD1OPRK1KDM4E
SCHEMBL28944846 0.82 KDM4E (0.47) OPRM1OPRD1OPRK1KDM4ENPSR1
SCHEMBL17187971 0.82 OPRM1 (0.72) OPRM1OPRD1OPRK1KDM4ENPSR1
SCHEMBL2011106 0.81 OPRM1 (0.53) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
EP-2262791-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 OPRM1 20/4885OPRD1 28/4885OPRK1 13/4885

“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.