SCHEMBL699951

SCHEMBL699951

OCC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.63
GAA P10253 3/20 0.57
POLB P06746 3/20 0.57
DRD4 P21917 1/20 0.56
TACR1 P25103 2/20 0.53
SLC6A4 P31645 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
CHRM4 P08173 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
OPRM1 P35372 2/20 0.50
OPRD1 P41143 1/20 0.50
USP2 O75604 1/20 0.50
SIGMAR1 Q99720 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
SCHEMBL2834848 0.88 SLC6A4 (0.62) OPRL1GAAPOLBDRD4TACR1
SCHEMBL3136902 0.85 OPRL1 (0.86) OPRL1POLBDRD4LMNAHTT
SCHEMBL3527471 0.85 OPRL1 (0.57) OPRL1GAAPOLBDRD4TACR1
SCHEMBL3524703 0.85 OPRL1 (0.57) OPRL1GAAPOLBDRD4TACR1
SCHEMBL2808153 0.84 CHRM4 (0.57) OPRL1GAADRD4TACR1SLC6A4
Hydrochloric Acid SCHEMBL4813917 0.84 OPRL1 (0.84) OPRL1POLBDRD4LMNAHTT
SCHEMBL701057 0.84 CYP2D6 (0.54) OPRL1GAAPOLBALDH1A1OPRM1
SCHEMBL2789160 0.83 OPRL1 (0.66) OPRL1GAAPOLBDRD4ALDH1A1
SCHEMBL2808179 0.82 CHRM4 (0.58) OPRL1GAADRD4TACR1SLC6A4
SCHEMBL2808174 0.82 OPRL1 (0.54) OPRL1GAADRD4TACR1SLC6A4

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 OPRL1 3/4885GAA 2480/4885POLB 3342/4885

“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.