SCHEMBL4878341

SCHEMBL4878341

COC(=O)C1(c2cccc(OC)c2)CCN(CC(F)(F)F)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.57
OPRD1 P41143 3/20 0.57
OPRK1 P41145 3/20 0.57
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADAM17 P78536 2/20 0.46
KCNA3 P22001 1/20 0.45
HPGDS O60760 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KCNH2 Q12809 3/20 0.42
SOAT1 P35610 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL4872645 0.90 OPRD1 (0.56) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL4881144 0.87 OPRM1 (0.52) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL4878272 0.87 OPRD1 (0.58) OPRM1OPRD1OPRK1KCNA3DRD3
SCHEMBL4881139 0.85 OPRD1 (0.47) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL4881599 0.82 L3MBTL1 (0.60) SMN1; SMN2ALDH1A1KCNH2
SCHEMBL27736564 0.81 ADAM17 (0.56) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL2846322 0.79 ADAM17 (0.53) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL30683829 0.79 ADAM17 (0.53) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL4876722 0.79 SOAT1 (0.56) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL8585754 0.78 ADAM17 (0.52) KMT2AMEN1ADAM17ALDH1A1

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.