SCHEMBL4249382

SCHEMBL4249382

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 9/20 0.48
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
HTR7 P34969 1/20 0.43
KCNH2 Q12809 1/20 0.43
DRD2 P14416 2/20 0.42
MGLL Q99685 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
EPHX2 P34913 1/20 0.41
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
HTR1A P08908 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5011602 0.94 CACNA1G (0.52) CACNA1GDRD2
SCHEMBL4248009 0.92 CACNA1G (0.43) CACNA1GCNR1CNR2HTR7KCNH2
SCHEMBL4245577 0.90 HTR1A (0.48) HTR7DRD2PTGS2HTR1A
SCHEMBL4248323 0.88 DRD2 (0.47) CACNA1GCNR1CNR2DRD2HTR1A
SCHEMBL5009537 0.88 MALT1 (0.48) CACNA1GDRD2
SCHEMBL13994809 0.87 CACNA1G (0.48) CACNA1GDRD2HTR1A
SCHEMBL4245539 0.87 EPHX2 (0.40) CACNA1GCNR1CNR2HTR7DRD2
SCHEMBL4246030 0.86 CACNA1G (0.55) CACNA1GCNR1CNR2HTR7DRD2
SCHEMBL4246632 0.86 CACNA1G (0.54) CACNA1GDRD2
SCHEMBL4249362 0.86 CACNA1G (0.49) CACNA1GCNR1CNR2DRD2

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 2/4885CNR1 275/4885CNR2 316/4885

“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.