SCHEMBL4870919

SCHEMBL4870919

COc1cccc([C@]2(CC#N)CC[C@@H](NC(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
GRIN2B Q13224 1/20 0.38
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC22A1 O15245 1/20 0.37
ICMT O60725 2/20 0.36
MAPT P10636 1/20 0.36
SOAT1 P35610 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL4870930 1.00 MGLL (0.42) MGLLOPRM1OPRD1OPRK1OPRL1
SCHEMBL4870923 1.00 MGLL (0.42) MGLLOPRM1OPRD1OPRK1OPRL1
SCHEMBL5772887 0.87 OPRM1 (0.44) MGLLOPRM1OPRD1OPRK1OPRL1
SCHEMBL5772883 0.87 OPRM1 (0.44) MGLLOPRM1OPRD1OPRK1OPRL1
SCHEMBL5772880 0.87 OPRM1 (0.44) MGLLOPRM1OPRD1OPRK1OPRL1
SCHEMBL4879205 0.86 DPP4 (0.50) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL4878461 0.86 OPRM1 (0.46) MGLLOPRM1OPRD1OPRK1OPRL1
SCHEMBL4879203 0.86 DPP4 (0.50) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL4879198 0.86 DPP4 (0.50) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL4878471 0.86 OPRM1 (0.46) MGLLOPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 MGLL 2507/4885OPRM1 1290/4885OPRD1 628/4885

“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.