SCHEMBL4393952

SCHEMBL4393952

O=C(Cc1ccc(C(F)(F)F)cc1)N1C2CCC1CN(S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.65
L3MBTL1 Q9Y468 1/20 0.44
STS P08842 1/20 0.43
HSD11B1 P28845 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
KCNH2 Q12809 3/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
AKR1C3 P42330 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
SCHEMBL4391285 0.83 CNR1 (0.67) CNR1L3MBTL1STSKCNH2AKR1C3
SCHEMBL4265815 0.79 CNR1 (1.00) CNR1L3MBTL1KCNH2
SCHEMBL4265827 0.78 CNR1 (0.68) CNR1L3MBTL1PTGDR2KCNH2
SCHEMBL4274778 0.78 CNR1 (0.67) CNR1KCNH2
SCHEMBL4275563 0.74 CNR1 (1.00) CNR1L3MBTL1KCNH2
SCHEMBL4267203 0.72 CNR1 (1.00) CNR1L3MBTL1KCNH2
SCHEMBL13671936 0.72 CNR1 (0.85) CNR1L3MBTL1KCNH2
SCHEMBL4389501 0.72 CNR1 (0.73) CNR1PTGDR2KCNH2
SCHEMBL4271964 0.71 CNR1 (0.82) CNR1L3MBTL1KCNH2
SCHEMBL4386367 0.70 CNR1 (0.82) CNR1L3MBTL1KCNH2

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 1/4885L3MBTL1 3894/4885STS 3943/4885

“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.