SCHEMBL4389501

SCHEMBL4389501

CC1CN(S(=O)(=O)c2cc(C3CC3)cc(C(F)(F)F)c2)CCN1C(=O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.73
PANK3 Q9H999 4/20 0.44
KCNH2 Q12809 3/20 0.43
OPRK1 P41145 1/20 0.43
PTGDR2 Q9Y5Y4 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
SCHEMBL4265827 0.92 CNR1 (0.68) CNR1KCNH2OPRK1PTGDR2
SCHEMBL4265095 0.85 CNR1 (0.70) CNR1OPRK1PTGDR2
SCHEMBL4275563 0.85 CNR1 (1.00) CNR1KCNH2
SCHEMBL4384466 0.82 CNR1 (0.50) CNR1KCNH2
SCHEMBL4265815 0.74 CNR1 (1.00) CNR1KCNH2
SCHEMBL4272064 0.74 CNR1 (0.70) CNR1OPRK1
SCHEMBL4393952 0.72 CNR1 (0.65) CNR1KCNH2PTGDR2
SCHEMBL4274778 0.72 CNR1 (0.67) CNR1KCNH2
SCHEMBL10080912 0.72 CNR1 (1.00) CNR1KCNH2
SCHEMBL13671936 0.72 CNR1 (0.85) CNR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247499-A1 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-10-01 US claimed
EP-2056828-A2 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-05-13 EP claimed
WO-2008024284-A2 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-02-28 WO 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-20090247499-A1 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH CNR1 1/4885PANK3 3586/4885KCNH2 1914/4885

“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.