SCHEMBL4265072

SCHEMBL4265072

O=C(CC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.65
CACNA1B Q00975 2/20 0.65
CACNB1 Q02641 2/20 0.65
CACNA1C Q13936 2/20 0.65
GAA P10253 5/20 0.63
LMNA P02545 2/20 0.62
HTT P42858 1/20 0.60
CNR1 P21554 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
CACNA1A O00555 1/20 0.56
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
PKM P14618 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
USP2 O75604 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL28819244 0.83 LMNA (0.65) GAALMNAHTTCNR1SMN1; SMN2
SCHEMBL15100910 0.82 LMNA (0.74) GAALMNAHTTCNR1SMN1; SMN2
SCHEMBL4282340 0.81 CACNA1B (0.62) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL18711333 0.79 LMNA (0.69) GAALMNAHTTCNR1SMN1; SMN2
SCHEMBL4182732 0.79 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1A
SCHEMBL18701978 0.77 LMNA (0.66) CACNA1BGAALMNAHTTCNR1
SCHEMBL27777213 0.77 HTT (0.57) GAALMNAHTTCNR1SMN1; SMN2
SCHEMBL13950411 0.76 CACNA2D1 (0.46) CACNA2D1CACNA1BCACNB1CACNA1CGAA
SCHEMBL15100856 0.76 LMNA (0.61) GAALMNAHTTCNR1SMN1; SMN2
SCHEMBL4274475 0.75 CNR1 (0.65) GAALMNACNR1SMN1; SMN2ALDH1A1

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 CACNA2D1 1076/4885CACNA1B 370/4885CACNB1 1886/4885

“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.