SCHEMBL4873590

SCHEMBL4873590

COc1cccc([C@]2(C(=O)OC)CC[C@@H](NC(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 1/20 0.44
ADAM17 P78536 2/20 0.44
MGLL Q99685 1/20 0.43
NPY1R P25929 1/20 0.43
GRIN2B Q13224 3/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HSD11B1 P28845 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
SCHEMBL4873596 1.00 OPRD1 (0.45) OPRD1OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL4881637 1.00 OPRD1 (0.45) OPRD1OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL4876349 0.92 OPRM1 (0.46) OPRD1OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL4877603 0.92 OPRM1 (0.46) OPRD1OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL4876357 0.92 OPRM1 (0.46) OPRD1OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL5796310 0.82 OPRD1 (0.44) OPRD1OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL5796313 0.82 OPRD1 (0.44) OPRD1OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL4878461 0.81 OPRM1 (0.46) OPRD1OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL4878471 0.81 OPRM1 (0.46) OPRD1OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL4872040 0.81 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPT

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 4 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
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 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 (2 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 OPRD1 628/4885OPRM1 1290/4885OPRK1 2515/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 OPRD1 117/4885OPRM1 211/4885OPRK1 564/4885

“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.