SCHEMBL701266

SCHEMBL701266

N#CC1(c2cccc(F)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.75
OPRL1 P41146 4/20 0.62
CYP2D6 P10635 1/20 0.50
MAPK1 P28482 1/20 0.50
CHRM4 P08173 1/20 0.49
OPRD1 P41143 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL30702525 0.90 OPRM1 (0.74) OPRM1OPRL1CHRM4OPRD1POLB
SCHEMBL476404 0.86 OPRM1 (1.00) OPRM1OPRL1CHRM4OPRD1POLB
SCHEMBL373586 0.85 OPRM1 (0.81) OPRM1OPRL1CHRM4OPRD1
Hydrochloric Acid SCHEMBL2473959 0.85 OPRM1 (0.97) OPRM1OPRL1CHRM4OPRD1POLB
SCHEMBL31567223 0.85 OPRM1 (0.71) OPRM1OPRL1CHRM4OPRD1POLB
Hydrochloric Acid SCHEMBL8350819 0.84 OPRM1 (0.79) OPRM1OPRL1CHRM4OPRD1POLB
SCHEMBL3132774 0.84 OPRM1 (0.70) OPRM1OPRL1CHRM4ALDH1A1
Hydrochloric Acid SCHEMBL2804667 0.83 OPRM1 (0.68) OPRM1OPRL1CHRM4POLBALDH1A1
SCHEMBL592928 0.82 OPRM1 (0.51) OPRM1OPRL1CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL28889864 0.82 OPRM1 (0.63) OPRM1OPRL1CYP2D6MAPK1CHRM4

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 9 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
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
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 20/4885OPRL1 3/4885CYP2D6 349/4885

“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.