SCHEMBL4878461

SCHEMBL4878461

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
OPRL1 P41146 1/20 0.46
GRIN2B Q13224 2/20 0.42
SLC22A1 O15245 3/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
MGLL Q99685 1/20 0.39
SOAT1 P35610 1/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A2 P23975 4/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL4878471 1.00 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL5772880 0.90 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL5772887 0.90 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL5772883 0.90 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL4879198 0.89 DPP4 (0.50) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL4879203 0.89 DPP4 (0.50) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL4879205 0.89 DPP4 (0.50) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL4872040 0.86 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASOAT1
SCHEMBL4872031 0.86 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASOAT1
SCHEMBL4870923 0.86 MGLL (0.42) OPRM1OPRD1OPRK1OPRL1GRIN2B

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 OPRM1 1290/4885OPRD1 628/4885OPRK1 2515/4885

“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.