SCHEMBL4249362

SCHEMBL4249362

c1ccc(-c2cc(CNCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)nn2-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.49
MALT1 Q9UDY8 5/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
P2RX7 Q99572 3/20 0.41
LMNA P02545 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL4253374 0.94 MALT1 (0.48) CACNA1GMALT1DRD2DRD4DRD3
SCHEMBL4249389 0.88 DRD2 (0.41) CACNA1GMALT1DRD2DRD4DRD3
SCHEMBL13994813 0.88 MALT1 (0.47) CACNA1GMALT1DRD2DRD4DRD3
SCHEMBL4245576 0.86 ALDH1A1 (0.43) CACNA1GDRD2DRD4DRD3P2RX7
SCHEMBL4247744 0.86 CACNA1G (0.48) CACNA1GDRD3P2RX7LMNA
SCHEMBL4250460 0.86 MALT1 (0.47) CACNA1GMALT1DRD2DRD4DRD3
SCHEMBL4249382 0.86 CACNA1G (0.48) CACNA1GDRD2CNR1CNR2
SCHEMBL4246905 0.84 DRD2 (0.45) CACNA1GMALT1DRD2DRD4DRD3
SCHEMBL4248682 0.84 CACNA1G (0.55) CACNA1GP2RX7LMNAOPRD1
SCHEMBL4245615 0.83 CNR1 (0.44) CACNA1GMALT1DRD3CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757590-B1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INST SCI & TECH (KR) 2009-12-02 EP claimed
US-7544686-B2 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-06-09 US claimed
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-03-01 US claimed
EP-1757590-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof Korea Institute of Science and Technology (KR) 2007-02-28 EP claimed
EP-1757590-B1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INST SCI & TECH (KR) 2009-12-02 EP disclosed
US-7544686-B2 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-06-09 US disclosed
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-03-01 US disclosed
EP-1757590-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof Korea Institute of Science and Technology (KR) 2007-02-28 EP 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-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof CACNA1I, CACNA1G, CACNA1H CACNA1G 2/4885MALT1 1362/4885DRD2 1498/4885

“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.