SCHEMBL3484652

SCHEMBL3484652

NCCN1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 20/20 0.66
NR1I2 O75469 10/20 0.56
CYP3A4 P08684 1/20 0.53
CACNA1C Q13936 1/20 0.49

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
SCHEMBL3485987 0.85 CACNA1B (0.63) CACNA1BNR1I2CYP3A4
SCHEMBL3485073 0.84 CACNA1B (0.70) CACNA1BNR1I2CYP3A4CACNA1C
SCHEMBL3961603 0.84 CACNA1B (0.54) CACNA1BNR1I2CYP3A4
SCHEMBL3772480 0.82 CACNA1B (0.56) CACNA1BNR1I2CYP3A4
SCHEMBL4389511 0.82 CACNA1B (0.57) CACNA1BNR1I2CYP3A4
SCHEMBL8269773 0.81 CACNA1B (0.60) CACNA1BNR1I2CYP3A4
SCHEMBL4278537 0.81 CACNA1B (0.58) CACNA1BNR1I2CYP3A4
SCHEMBL4277656 0.80 CACNA1B (0.59) CACNA1BNR1I2CYP3A4
SCHEMBL3768667 0.80 CACNA1B (0.59) CACNA1BNR1I2CYP3A4
SCHEMBL3486136 0.80 CACNA1B (0.68) CACNA1BNR1I2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 US claimed
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 US claimed
WO-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 WO claimed
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 US disclosed
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 US disclosed
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 US disclosed
US-8765736-B2 Benzenesulfonamide compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-07-01 US disclosed
US-8765736-B2 Benzenesulfonamide compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-07-01 US disclosed
US-8765736-B2 Benzenesulfonamide compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-07-01 US disclosed
US-20100311792-A1 Benzenesulfonamide Compounds and the Use Thereof PURDUE PHARMA L.P. 2010-12-09 US disclosed
US-20100311792-A1 Benzenesulfonamide Compounds and the Use Thereof PURDUE PHARMA L.P. 2010-12-09 US disclosed
US-20100311792-A1 Benzenesulfonamide Compounds and the Use Thereof PURDUE PHARMA L.P. 2010-12-09 US disclosed
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 US disclosed
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 US disclosed
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 US disclosed
WO-2009040659-A2 BENZENESULFONAMIDE COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. (DE) 2009-04-02 WO disclosed
WO-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 WO disclosed
WO-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 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-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels CACNA1A, CACNA1E, CACNA1B CACNA1B 3/4885NR1I2 1340/4885CYP3A4 771/4885
US-20100311792-A1 Benzenesulfonamide Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1B CACNA1B 3/4885NR1I2 1609/4885CYP3A4 1081/4885

“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.