SCHEMBL4391285

SCHEMBL4391285

O=C(Cc1ccc(C(F)(F)F)cc1)N1CC2CCC(C1)N2S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.67
AKR1C3 P42330 3/20 0.54
HRH3 Q9Y5N1 2/20 0.44
ME2 P23368 1/20 0.44
ME1 P48163 1/20 0.44
ME3 Q16798 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
STS P08842 1/20 0.42
KCNH2 Q12809 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
RORC P51449 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
SCHEMBL4393952 0.83 CNR1 (0.65) CNR1AKR1C3L3MBTL1STSKCNH2
SCHEMBL4265815 0.80 CNR1 (1.00) CNR1HRH3ME2ME1ME3
SCHEMBL4275563 0.75 CNR1 (1.00) CNR1HRH3L3MBTL1KCNH2
SCHEMBL13815063 0.74 CNR1 (0.49) CNR1HRH3ME2ME1ME3
SCHEMBL13805227 0.74 CNR1 (0.49) CNR1HRH3ME2ME1ME3
SCHEMBL4265827 0.74 CNR1 (0.68) CNR1L3MBTL1KCNH2
SCHEMBL4267203 0.73 CNR1 (1.00) CNR1HRH3ME2ME1ME3
SCHEMBL13671936 0.73 CNR1 (0.85) CNR1HRH3ME2ME1ME3
SCHEMBL13815034 0.73 CYP2C9 (0.48) CNR1HRH3RORC
SCHEMBL13805182 0.73 CYP2C9 (0.48) CNR1HRH3RORC

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 1/4885AKR1C3 3911/4885HRH3 233/4885

“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.