SCHEMBL15570234

SCHEMBL15570234

COc1ccccc1-n1nc(OC2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(Cl)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 19/20 1.00
▸ CACNA1A O00555 19/20 1.00
▸ CACNA1G O43497 19/20 1.00
▸ CACNG3 O60359 19/20 1.00
▸ CACNA1F O60840 19/20 1.00
▸ CACNA1H O95180 19/20 1.00
▸ CACNB3 P54284 19/20 1.00
▸ CACNA2D1 P54289 19/20 1.00
▸ CACNG7 P62955 19/20 1.00
▸ CACNA1D Q01668 19/20 1.00
▸ CACNB1 Q02641 19/20 1.00
▸ CACNG1 Q06432 19/20 1.00
▸ CACNB2 Q08289 19/20 1.00
▸ CACNA1S Q13698 19/20 1.00
▸ CACNA1C Q13936 19/20 1.00
▸ CACNA1E Q15878 19/20 1.00
▸ CACNA2D4 Q7Z3S7 19/20 1.00
▸ CACNA2D3 Q8IZS8 19/20 1.00
▸ CACNG8 Q8WXS5 19/20 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
SCHEMBL15570650 0.91 CACNA1B (1.00) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15570542 0.88 CACNB4 (1.00) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15771072 0.88 CACNA1B (1.00) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15570141 0.87 CACNB4 (1.00) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15771390 0.87 CACNB4 (1.00) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15770143 0.87 CACNB4 (0.83) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15770141 0.87 CACNB4 (1.00) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15770843 0.87 CACNB4 (0.77) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15771060 0.87 CACNB4 (0.77) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15770842 0.87 CACNB4 (0.77) 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.

Send feedback