SCHEMBL3200778

SCHEMBL3200778

CC(C)CNS(=O)(=O)c1ccccc1-c1ccc(CNC2CCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.69
OPRK1 P41145 11/20 0.69
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 1/20 0.47
ALOX5AP P20292 3/20 0.45
FEN1 P39748 3/20 0.45
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
FABP6 P51161 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL3214852 0.82 OPRK1 (0.79) OPRM1OPRK1KCNH2ALOX5APFEN1
SCHEMBL3200781 0.82 OPRM1 (1.00) OPRM1OPRK1KCNH2HRH3MEN1
SCHEMBL28129524 0.76 FEN1 (0.60) OPRM1OPRK1KCNH2ALOX5APFEN1
SCHEMBL3219520 0.70 OPRK1 (0.77) OPRM1OPRK1KCNH2
SCHEMBL3219508 0.70 OPRK1 (0.77) OPRM1OPRK1KCNH2
SCHEMBL3213443 0.70 OPRK1 (0.77) OPRM1OPRK1KCNH2
SCHEMBL16249332 0.69 MEN1 (0.83) OPRM1OPRK1HRH3MEN1RAB9A
Pf-04455242 SCHEMBL29664276 0.68 OPRK1 (1.00) OPRM1OPRK1KCNH2
Pf-04455242 SCHEMBL3212512 0.68 OPRK1 (1.00) OPRM1OPRK1KCNH2
SCHEMBL3223682 0.68 OPRM1 (1.00) OPRM1OPRK1KCNH2ALOX5APFEN1

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 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-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.