SCHEMBL2193100

SCHEMBL2193100

CC(C)([C@H]1CCC(=O)N(c2ccc(C(F)(F)F)cn2)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CYP3A4 P08684 2/20 0.42
CACNA1B Q00975 2/20 0.42
NR1I2 O75469 1/20 0.42
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA4 P22748 4/20 0.39
CA7 P43166 4/20 0.39
CA9 Q16790 4/20 0.39
TRPV1 Q8NER1 2/20 0.39
GPR119 Q8TDV5 1/20 0.39
KDM4E B2RXH2 2/20 0.38
APAF1 O14727 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7930230 1.00 CNR1 (0.42) CNR1CNR2CYP3A4CACNA1BNR1I2
SCHEMBL2188221 1.00 CNR1 (0.42) CNR1CNR2CYP3A4CACNA1BNR1I2
SCHEMBL2192701 0.90 HCRTR1 (0.43) CNR1CNR2CYP3A4CACNA1BNR1I2
SCHEMBL2187199 0.90 HCRTR1 (0.43) CNR1CNR2CYP3A4CACNA1BNR1I2
SCHEMBL2189550 0.90 HCRTR1 (0.43) CNR1CNR2CYP3A4CACNA1BNR1I2
SCHEMBL2189917 0.85 CYP3A4 (0.45) CNR2CYP3A4CACNA1BNR1I2KDM4E
SCHEMBL2196073 0.85 CYP3A4 (0.46) CNR1CNR2CYP3A4CACNA1BNR1I2
SCHEMBL7920460 0.85 CYP3A4 (0.46) CNR1CNR2CYP3A4CACNA1BNR1I2
SCHEMBL2189730 0.85 CYP3A4 (0.46) CNR1CNR2CYP3A4CACNA1BNR1I2
SCHEMBL2195252 0.83 HCRTR1 (0.41) CNR1CNR2CYP3A4CACNA1BNR1I2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 US claimed
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 US 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-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D CNR1 71/4885CNR2 59/4885CYP3A4 939/4885

“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.