SCHEMBL4399212

SCHEMBL4399212

O=C(C1CC1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(-c3nc[nH]n3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.75
KCNH2 Q12809 11/20 0.75
CYP3A4 P08684 1/20 0.71
CYP2C8 P10632 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71

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
SCHEMBL13668472 0.86 CNR1 (1.00) CNR1KCNH2CYP3A4CYP2C8CYP2D6
SCHEMBL4388145 0.84 CNR1 (0.76) CNR1KCNH2CYP3A4CYP2C8CYP2D6
SCHEMBL13668473 0.83 CNR1 (0.74) CNR1KCNH2CYP3A4CYP2C8CYP2D6
SCHEMBL4393958 0.83 CNR1 (0.79) CNR1KCNH2CYP3A4CYP2C8CYP2D6
SCHEMBL4390248 0.81 CNR1 (0.70) CNR1KCNH2CYP3A4CYP2C8CYP2D6
SCHEMBL4275583 0.80 CNR1 (0.80) CNR1KCNH2CYP3A4CYP2C8CYP2D6
SCHEMBL14297903 0.80 CNR1 (0.80) CNR1KCNH2
SCHEMBL10080912 0.80 CNR1 (1.00) CNR1KCNH2
SCHEMBL4394591 0.78 CNR1 (0.76) CNR1KCNH2CYP3A4CYP2C8CYP2D6
SCHEMBL4388162 0.77 CNR1 (1.00) CNR1KCNH2CYP3A4CYP2C8CYP2D6

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 1/4885KCNH2 1914/4885CYP3A4 1652/4885

“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.