SCHEMBL3485889

SCHEMBL3485889

CC(C)CNC(=O)CN1CCC(NCS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.41
ALDH3A1 P30838 1/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BACE1 P56817 1/20 0.41
POLB P06746 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL3485887 0.79 HTR2A (0.54) HTTGAAL3MBTL1
SCHEMBL3485932 0.79 HTT (0.45) HTTNPC1GAARAB9AL3MBTL1
SCHEMBL26238905 0.77 PRCP (0.58) HTT
SCHEMBL3484955 0.77 CHRNB2 (0.58) HTTGAAL3MBTL1SMN1; SMN2CHRNB2
SCHEMBL3485254 0.76 POLB (0.44) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL13541683 0.74 LTA4H (0.54) HTTNPC1GAARAB9ASMN1; SMN2
SCHEMBL3485746 0.74 ALDH1A1 (0.56) HTTL3MBTL1SMN1; SMN2POLBCHRNB2
SCHEMBL3485785 0.71 DRD2 (0.46) SMN1; SMN2POLB
SCHEMBL8234213 0.70 HTR2A (0.46)
SCHEMBL3485872 0.69 CACNA1B (0.47) GAASMN1; SMN2

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 4 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
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 HTT 2602/4885NPC1 1686/4885GAA 1863/4885

“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.