SCHEMBL15569041

SCHEMBL15569041

FC(F)(F)c1cc(Cl)cc(Cl)c1-n1nc(C2CCOCC2)cc1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 11/20 0.53
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CACNB4 O00305 1/20 0.37
▸ CACNA1A O00555 1/20 0.37
▸ CACNA1G O43497 1/20 0.37
▸ CACNG3 O60359 1/20 0.37
▸ CACNA1F O60840 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNB3 P54284 1/20 0.37
▸ CACNA2D1 P54289 1/20 0.37
▸ CACNG7 P62955 1/20 0.37
▸ CACNA1D Q01668 1/20 0.37

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
SCHEMBL15569199 0.87 CACNA1B (0.55) CACNA1BPTGS1PTGS2KCNH2CACNB4
SCHEMBL15772780 0.81 CACNA1B (0.63) CACNA1BMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15771869 0.79 CACNA1B (0.66) CACNA1BMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15568580 0.76 CACNA1B (0.74) CACNA1BMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15772506 0.73 CACNA1B (0.76) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15568981 0.72 CACNA1B (0.68) CACNA1BMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15773048 0.70 CACNA1B (0.72) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL15568397 0.69 CACNA1B (1.00) CACNA1BKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL2598511 0.62 L3MBTL1 (0.51) CACNA1BPTGS1PTGS2MEN1KMT2A
SCHEMBL12186018 0.59 CACNA1B (0.49) CACNA1BMEN1KMT2ASMN1; SMN2LMNA

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 1/4885PTGS1 891/4885PTGS2 1275/4885

“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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