SCHEMBL15770842

SCHEMBL15770842

COc1ccccc1-n1nc(OC2CC(C)(C)[S+]([O-])C(C)(C)C2)cc1-c1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNB4 O00305 20/20 0.77
▸ CACNA1A O00555 20/20 0.77
▸ CACNA1G O43497 20/20 0.77
▸ CACNG3 O60359 20/20 0.77
▸ CACNA1F O60840 20/20 0.77
▸ CACNA1H O95180 20/20 0.77
▸ CACNB3 P54284 20/20 0.77
▸ CACNA2D1 P54289 20/20 0.77
▸ CACNG7 P62955 20/20 0.77
▸ CACNA1B Q00975 20/20 0.77
▸ CACNA1D Q01668 20/20 0.77
▸ CACNB1 Q02641 20/20 0.77
▸ CACNG1 Q06432 20/20 0.77
▸ CACNB2 Q08289 20/20 0.77
▸ CACNA1S Q13698 20/20 0.77
▸ CACNA1C Q13936 20/20 0.77
▸ CACNA1E Q15878 20/20 0.77
▸ CACNA2D4 Q7Z3S7 20/20 0.77
▸ CACNA2D3 Q8IZS8 20/20 0.77
▸ CACNG8 Q8WXS5 20/20 0.77

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
SCHEMBL15770843 1.00 CACNB4 (0.77) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15771060 1.00 CACNB4 (0.77) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
Trifluoroacetic Acid SCHEMBL15771199 0.92 CACNB4 (0.71) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
Trifluoroacetic Acid SCHEMBL15771198 0.92 CACNB4 (0.71) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15570515 0.91 CACNB4 (0.76) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15781854 0.91 CACNB4 (0.76) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15570516 0.91 CACNB4 (0.76) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15771288 0.89 CACNA1B (0.79) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15771287 0.89 CACNA1B (0.79) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15570542 0.87 CACNB4 (1.00) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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-9434693-B2 Substituted pyrazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2016-09-06 — — US claimed
EP-2885278-B1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2016-08-03 — — EP claimed
US-20140162997-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-06-12 — — US claimed
US-9434693-B2 Substituted pyrazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2016-09-06 — — US disclosed
EP-2885278-B1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2016-08-03 — — EP disclosed
US-20140162997-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-06-12 — — 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-20140162997-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1B, CACNA1A CACNB4 34/4885CACNA1A 3/4885CACNA1G 5/4885

“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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