SCHEMBL3223682

SCHEMBL3223682

O=S(=O)(c1ccccc1-c1ccc(CNC2CCOCC2)cc1)N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 1.00
OPRK1 P41145 17/20 1.00
KCNH2 Q12809 1/20 0.59
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
FABP6 P51161 1/20 0.46
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45

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
SCHEMBL3211800 0.94 OPRK1 (0.88) OPRM1OPRK1KCNH2PDCD1CD274
SCHEMBL3224463 0.79 OPRK1 (0.65) OPRM1OPRK1KCNH2
SCHEMBL3219530 0.79 OPRK1 (0.65) OPRM1OPRK1KCNH2
SCHEMBL3224466 0.79 OPRK1 (0.65) OPRM1OPRK1KCNH2
SCHEMBL3204687 0.74 OPRK1 (1.00) OPRM1OPRK1KCNH2
Pf-04455242 SCHEMBL3212512 0.74 OPRK1 (1.00) OPRM1OPRK1KCNH2
Pf-04455242 SCHEMBL29664276 0.74 OPRK1 (1.00) OPRM1OPRK1KCNH2
Pf-04455242 SCHEMBL29484946 0.73 OPRK1 (0.98) OPRM1OPRK1KCNH2
SCHEMBL3219537 0.73 OPRK1 (1.00) OPRM1OPRK1KCNH2
SCHEMBL375157 0.73 MEN1 (0.75) OPRM1OPRK1PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035873-A1 Diaryl Compounds and Uses Thereof PFIZER INC 2010-02-11 US claimed

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-20100035873-A1 Diaryl Compounds and Uses Thereof OPRK1, OPRD1, OPRL1 OPRM1 4/4885OPRK1 1/4885KCNH2 281/4885

“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.