SCHEMBL13541737

SCHEMBL13541737

COc1ccc(C)cc1NC(=O)CN1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 9/20 0.62
▸ KCNT1 Q5JUK3 1/20 0.55
▸ KCNT2 Q6UVM3 1/20 0.55
▸ ALDH1A1 P00352 7/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ TSHR P16473 5/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ GAA P10253 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 2/20 0.49
▸ CACNA1C Q13936 1/20 0.49
▸ NR1I2 O75469 2/20 0.48

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
SCHEMBL3485463 0.94 CACNA1B (0.65) CACNA1BKCNT1KCNT2ALDH1A1SMN1; SMN2
SCHEMBL3485740 0.91 CACNA1B (0.61) CACNA1BKCNT1KCNT2ALDH1A1KMT2A
SCHEMBL13541735 0.89 CACNA1B (0.55) CACNA1BALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL3485553 0.84 CACNA1B (0.57) CACNA1BALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL3485875 0.83 CACNA1B (0.58) CACNA1BCYP3A4NR1I2
SCHEMBL13541728 0.82 CACNA1B (0.55) CACNA1BALDH1A1SMN1; SMN2LMNATP53
SCHEMBL3485776 0.82 CACNA1B (0.54) CACNA1BALDH1A1LMNACYP3A4NR1I2
SCHEMBL3486130 0.82 CACNA1B (0.54) CACNA1BALDH1A1LMNACYP3A4NR1I2
SCHEMBL13543316 0.82 CACNA1B (0.51) CACNA1BKCNT1ALDH1A1KMT2AMEN1
SCHEMBL3484996 0.81 ALDH1A1 (0.61) CACNA1BALDH1A1KMT2ASMN1; SMN2MEN1

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-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

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 3/4885KCNT1 104/4885KCNT2 113/4885

“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.

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