SCHEMBL15570650

SCHEMBL15570650

COc1ccc(-c2cc(OC3CC(C)(C)OC(C)(C)C3)nn2-c2ccccc2OC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 20/20 1.00
▸ CACNB4 O00305 18/20 1.00
▸ CACNA1A O00555 18/20 1.00
▸ CACNA1G O43497 18/20 1.00
▸ CACNG3 O60359 18/20 1.00
▸ CACNA1F O60840 18/20 1.00
▸ CACNA1H O95180 18/20 1.00
▸ CACNB3 P54284 18/20 1.00
▸ CACNA2D1 P54289 18/20 1.00
▸ CACNG7 P62955 18/20 1.00
▸ CACNA1D Q01668 18/20 1.00
▸ CACNB1 Q02641 18/20 1.00
▸ CACNG1 Q06432 18/20 1.00
▸ CACNB2 Q08289 18/20 1.00
▸ CACNA1S Q13698 18/20 1.00
▸ CACNA1C Q13936 18/20 1.00
▸ CACNA1E Q15878 18/20 1.00
▸ CACNA2D4 Q7Z3S7 18/20 1.00
▸ CACNA2D3 Q8IZS8 18/20 1.00
▸ CACNG8 Q8WXS5 18/20 1.00

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
SCHEMBL15570234 0.91 CACNA1B (1.00) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15771072 0.89 CACNA1B (1.00) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15771367 0.88 CACNB4 (1.00) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15771375 0.86 CACNB4 (1.00) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15570515 0.86 CACNB4 (0.76) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15781854 0.86 CACNB4 (0.76) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15771376 0.86 CACNB4 (0.82) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15570516 0.86 CACNB4 (0.76) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15568376 0.84 CACNA1B (0.84) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15570542 0.79 CACNB4 (1.00) CACNA1BCACNB4CACNA1ACACNA1GCACNG3

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 12 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
US-9434693-B2 Substituted pyrazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2016-09-06 — — US disclosed
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
EP-2885278-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS Janssen Pharmaceutica N.V. (BE) 2015-06-24 — — EP disclosed
US-20140162997-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-06-12 — — US disclosed
US-20140162997-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-06-12 — — US disclosed
US-20140162997-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-06-12 — — US disclosed
WO-2014028800-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-02-20 — — 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-20140162997-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1B, CACNA1A CACNA1B 2/4885CACNB4 34/4885CACNA1A 3/4885

“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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