SCHEMBL15569199

SCHEMBL15569199

FC(F)(F)c1cc(Cl)c(-n2nc(C3CCOCC3)cc2-c2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 10/20 0.55
▸ GABRA2 P47869 6/20 0.41
▸ GABRB2 P47870 6/20 0.41
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ KCNH2 Q12809 1/20 0.38
▸ CACNB4 O00305 1/20 0.38
▸ CACNA1A O00555 1/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ CACNG3 O60359 1/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CACNB3 P54284 1/20 0.38
▸ CACNA2D1 P54289 1/20 0.38
▸ CACNG7 P62955 1/20 0.38
▸ CACNA1D Q01668 1/20 0.38
▸ CACNB1 Q02641 1/20 0.38
▸ CACNG1 Q06432 1/20 0.38
▸ CACNB2 Q08289 1/20 0.38
▸ CACNA1S Q13698 1/20 0.38

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
SCHEMBL15569041 0.87 CACNA1B (0.53) CACNA1BPTGS1PTGS2KCNH2CACNB4
SCHEMBL15772780 0.85 CACNA1B (0.63) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15771869 0.78 CACNA1B (0.66) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15568580 0.77 CACNA1B (0.74) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15772506 0.75 CACNA1B (0.76) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15773048 0.72 CACNA1B (0.72) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15568397 0.71 CACNA1B (1.00) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15568981 0.71 CACNA1B (0.68) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL9526822 0.63 GABRA2 (0.46) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL2598511 0.63 L3MBTL1 (0.51) CACNA1BPTGS1PTGS2KCNH2

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
EP-2885293-B1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2016-07-27 — — EP claimed
EP-2885293-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS Janssen Pharmaceutica, N.V. (BE) 2015-06-24 — — EP claimed
US-8901314-B2 Substituted pyrazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2014-12-02 — — US claimed
US-20140163031-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-06-12 — — US claimed
WO-2014028803-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-02-20 — — WO claimed
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 1/4885GABRA2 797/4885GABRB2 436/4885

“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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