SCHEMBL4245539

SCHEMBL4245539

c1ccc(N2CCN(CCNCc3cc(-c4ccc(C5CCCCC5)cc4)n(-c4ccccc4)n3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
CACNA1G O43497 4/20 0.39
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
MMP12 P39900 1/20 0.36
PTGS2 P35354 1/20 0.36
HTR7 P34969 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL4250708 0.93 CACNA1G (0.45) EPHX2CACNA1GPTGS2HTR7DRD2
SCHEMBL4245555 0.92 HTR2A (0.44) EPHX2PTGS2HTR7DRD2DRD3
SCHEMBL4245923 0.91 ADRA1A (0.39) EPHX2CACNA1GDRD2DRD3
SCHEMBL4249389 0.89 DRD2 (0.41) EPHX2CACNA1GFAAHPTGS2DRD2
SCHEMBL4250085 0.89 CACNA1G (0.46) EPHX2CACNA1GHTR7DRD2
SCHEMBL4247750 0.89 CACNA1G (0.45) CACNA1GDRD2DRD3
SCHEMBL4248009 0.88 CACNA1G (0.43) EPHX2CACNA1GMGLLPTGS2HTR7
SCHEMBL4249382 0.87 CACNA1G (0.48) EPHX2CACNA1GMGLLPTGS2HTR7
SCHEMBL4246905 0.84 DRD2 (0.45) CACNA1GHTR7DRD2DRD3MALT1
SCHEMBL5009537 0.84 MALT1 (0.48) CACNA1GDRD2MALT1

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 EPHX2 4205/4885CACNA1G 2/4885FAAH 705/4885

“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.