SCHEMBL15772247

SCHEMBL15772247

COc1ccccc1-n1nc(B2OC(C)(C)C(C)(C)O2)cc1-c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 20/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ CACNB4 O00305 13/20 0.56
▸ CACNA1A O00555 13/20 0.56
▸ CACNA1G O43497 13/20 0.56
▸ CACNG3 O60359 13/20 0.56
▸ CACNA1F O60840 13/20 0.56
▸ CACNA1H O95180 13/20 0.56
▸ CACNB3 P54284 13/20 0.56
▸ CACNA2D1 P54289 13/20 0.56
▸ CACNG7 P62955 13/20 0.56
▸ CACNA1D Q01668 13/20 0.56
▸ CACNB1 Q02641 13/20 0.56
▸ CACNG1 Q06432 13/20 0.56
▸ CACNB2 Q08289 13/20 0.56
▸ CACNA1S Q13698 13/20 0.56
▸ CACNA1C Q13936 13/20 0.56
▸ CACNA1E Q15878 13/20 0.56
▸ CACNA2D4 Q7Z3S7 13/20 0.56
▸ CACNA2D3 Q8IZS8 13/20 0.56

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
SCHEMBL15781023 0.77 CACNA1B (0.60) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15568217 0.74 CACNA1B (0.74) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15568211 0.74 CACNA1B (1.00) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15570234 0.72 CACNA1B (1.00) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15570429 0.72 CACNA1B (1.00) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15569687 0.72 CACNA1B (0.79) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15569864 0.72 CACNA1B (0.78) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15570167 0.72 CACNA1B (1.00) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15568397 0.71 CACNA1B (1.00) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15568928 0.71 CACNA1B (1.00) CACNA1BKCNH2CACNB4CACNA1ACACNA1G

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2885293-B1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2016-07-27 — — EP disclosed
US-8901314-B2 Substituted pyrazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2014-12-02 — — US disclosed
US-8901314-B2 Substituted pyrazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2014-12-02 — — US disclosed
US-8901314-B2 Substituted pyrazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2014-12-02 — — US disclosed
US-20140163031-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-06-12 — — US disclosed
US-20140163031-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-06-12 — — US disclosed
US-20140163031-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-20140163031-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1A CACNA1B 1/4885KCNH2 33/4885CACNB4 10/4885

“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