SCHEMBL4880912

SCHEMBL4880912

COc1cccc(C2(C(N)=O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.69
OPRD1 P41143 10/20 0.69
OPRK1 P41145 10/20 0.69
OPRL1 P41146 10/20 0.69
CYP3A4 P08684 5/20 0.50
USP2 O75604 4/20 0.50
CYP2D6 P10635 4/20 0.50
CYP2C9 P11712 3/20 0.50
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CACNA2D1 P54289 3/20 0.47
CACNA1B Q00975 3/20 0.47
CACNB1 Q02641 3/20 0.47
CACNA1C Q13936 2/20 0.46
CACNA1G O43497 1/20 0.46

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
SCHEMBL4877793 0.91 OPRM1 (0.72) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL5476317 0.88 OPRM1 (0.69) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL4871634 0.84 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL3507379 0.82 LMNA (0.54) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL2701083 0.81 SIGMAR1 (0.57) OPRM1CYP2D6MAPTALDH1A1LMNA
SCHEMBL10002406 0.80 LMNA (0.58) OPRD1OPRK1ALDH1A1LMNA
SCHEMBL4878651 0.79 OPRM1 (0.56) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL5668891 0.79 LMNA (0.65) OPRM1OPRD1OPRK1ALDH1A1LMNA
SCHEMBL5476169 0.78 SOAT1 (0.55) MAPT
SCHEMBL11865726 0.76 PDE4A (0.55) ALDH1A1LMNA

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.