SCHEMBL3204514

SCHEMBL3204514

CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N(C)C(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 16/20 0.70
OPRM1 P35372 14/20 0.70
KCNH2 Q12809 1/20 0.64
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42

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 0.83 OPRK1 (0.79) OPRK1OPRM1KCNH2EDNRBEDNRA
SCHEMBL3200781 0.78 OPRM1 (1.00) OPRK1OPRM1KCNH2
Pf-04455242 SCHEMBL3212512 0.78 OPRK1 (1.00) OPRK1OPRM1KCNH2
Pf-04455242 SCHEMBL29664276 0.78 OPRK1 (1.00) OPRK1OPRM1KCNH2
Pf-04455242 SCHEMBL29484946 0.77 OPRK1 (0.98) OPRK1OPRM1KCNH2
SCHEMBL6904423 0.77 OPRM1 (0.58) OPRK1OPRM1ALDH1A1EDNRBEDNRA
SCHEMBL3221376 0.75 OPRM1 (0.54) OPRK1OPRM1ALDH1A1
SCHEMBL3219520 0.73 OPRK1 (0.77) OPRK1OPRM1KCNH2
SCHEMBL3213443 0.73 OPRK1 (0.77) OPRK1OPRM1KCNH2
SCHEMBL3219508 0.73 OPRK1 (0.77) OPRK1OPRM1KCNH2

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-20100035873-A1 Diaryl Compounds and Uses Thereof PFIZER INC 2010-02-11 US claimed
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 OPRK1 1/4885OPRM1 4/4885KCNH2 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.