SCHEMBL4274698

SCHEMBL4274698

O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.72
L3MBTL1 Q9Y468 1/20 0.70
NPSR1 Q6W5P4 1/20 0.64
ALDH1A1 P00352 1/20 0.64
NPC1 O15118 1/20 0.53
F13A1 P00488 1/20 0.53
TGM2 P21980 1/20 0.53
TGM1 P22735 1/20 0.53

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
SCHEMBL4271711 0.84 CNR1 (1.00) CNR1L3MBTL1NPSR1ALDH1A1NPC1
SCHEMBL4267485 0.84 CNR1 (1.00) CNR1L3MBTL1NPSR1ALDH1A1
SCHEMBL4276691 0.83 CNR1 (1.00) CNR1L3MBTL1NPSR1ALDH1A1
SCHEMBL751729 0.78 ALDH1A1 (1.00) CNR1L3MBTL1NPSR1ALDH1A1NPC1
SCHEMBL4270641 0.77 CNR1 (0.69) CNR1NPSR1ALDH1A1
SCHEMBL4274513 0.77 CNR1 (1.00) CNR1L3MBTL1NPSR1ALDH1A1NPC1
SCHEMBL4275882 0.76 CNR1 (1.00) CNR1L3MBTL1NPSR1ALDH1A1
SCHEMBL4272492 0.76 CNR1 (1.00) CNR1L3MBTL1NPSR1ALDH1A1NPC1
SCHEMBL4266825 0.76 CNR1 (0.88) CNR1L3MBTL1
SCHEMBL4555876 0.76 USP2 (0.61) L3MBTL1NPSR1ALDH1A1

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 5 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
EP-2056828-A2 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-05-13 EP disclosed
WO-2008024284-A2 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-02-28 WO 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-20090247499-A1 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH CNR1 1/4885L3MBTL1 3894/4885NPSR1 12/4885

“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.