SCHEMBL4265972

SCHEMBL4265972

O=C(Cc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 1.00
HTT P42858 1/20 0.53
HRH3 Q9Y5N1 2/20 0.52
ME2 P23368 1/20 0.52
ME1 P48163 1/20 0.52
ME3 Q16798 1/20 0.52
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL4265815 0.90 CNR1 (1.00) CNR1HRH3ME2ME1ME3
SCHEMBL4271444 0.89 CNR1 (1.00) CNR1HTTHRH3ALDH1A1POLB
SCHEMBL4267226 0.88 CNR1 (0.83) CNR1GAA
SCHEMBL4269141 0.88 CNR1 (1.00) CNR1GAA
SCHEMBL4266704 0.87 CNR1 (0.78) CNR1ALDH1A1POLB
SCHEMBL4269684 0.86 CNR1 (0.80) CNR1GAA
SCHEMBL4274850 0.86 CNR1 (0.75) CNR1HRH3
SCHEMBL4269921 0.85 CNR1 (0.74) CNR1HTTALDH1A1POLBGAA
SCHEMBL4270676 0.85 CNR1 (0.78) CNR1GAA
SCHEMBL4270006 0.85 CNR1 (0.78) CNR1HTTALDH1A1GAA

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 11 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-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
US-20090247499-A1 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-10-01 US disclosed
US-20090247499-A1 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-10-01 US disclosed
US-20090247499-A1 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-10-01 US disclosed
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 (2 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-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 CNR1 3300/4885HTT 4001/4885HRH3 4106/4885
US-20090247499-A1 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH CNR1 1/4885HTT 2014/4885HRH3 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.