SCHEMBL3485707

SCHEMBL3485707

CC(C)(C)c1ccc(NC(=O)CN2CCC(N(C3CC3)S(=O)(=O)c3cccc(F)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.48
NR1I2 O75469 2/20 0.48
CYP3A4 P08684 2/20 0.48
DRD4 P21917 1/20 0.48
KCNT1 Q5JUK3 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL15891023 0.93 CACNA1B (0.49) CACNA1BNR1I2CYP3A4DRD4KCNT1
SCHEMBL3486066 0.91 CACNA1B (0.56) CACNA1BNR1I2CYP3A4ALDH1A1LMNA
SCHEMBL3485542 0.91 SMN1; SMN2 (0.52) DRD4KCNT1ALDH1A1KDM4ELMNA
SCHEMBL3486149 0.85 CACNA1B (0.57) CACNA1BNR1I2CYP3A4ALDH1A1LMNA
SCHEMBL3486050 0.85 CACNA1B (0.50) CACNA1BNR1I2DRD4ALDH1A1KDM4E
SCHEMBL3485288 0.84 ALDH1A1 (0.53) DRD4ALDH1A1KDM4ELMNADRD2
SCHEMBL3485689 0.83 IDO1 (0.53) CYP3A4KCNT1ALDH1A1KMT2AKDM4E
SCHEMBL3485444 0.82 LMNA (0.57) DRD4ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL3485429 0.82 CACNA1B (0.55) CACNA1BNR1I2CYP3A4ALDH1A1LMNA
SCHEMBL3486055 0.81 ALDH1A1 (0.62) CACNA1BNR1I2CYP3A4DRD4ALDH1A1

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 6 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-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 US 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 (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-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels CACNA1A, CACNA1E, CACNA1B CACNA1B 3/4885NR1I2 1340/4885CYP3A4 771/4885

“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.