SCHEMBL4247744

SCHEMBL4247744

Cc1cc(CNCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)nn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.48
P2RX7 Q99572 7/20 0.44
LMNA P02545 1/20 0.41
NR2E1 Q9Y466 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2A P28223 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD1 P21728 1/20 0.40
ADRA1D P25100 1/20 0.40

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
SCHEMBL4246622 0.94 DRD3 (0.47) CACNA1GLMNAMEN1ALDH1A1KMT2A
SCHEMBL4248682 0.87 CACNA1G (0.55) CACNA1GP2RX7LMNAMEN1ALDH1A1
SCHEMBL4249362 0.86 CACNA1G (0.49) CACNA1GP2RX7LMNADRD3
SCHEMBL4256059 0.86 CACNA1G (0.50) CACNA1GP2RX7KCNH2
SCHEMBL4249570 0.85 SIGMAR1 (0.47) CACNA1GLMNAKDM4EMEN1ALDH1A1
SCHEMBL4255457 0.84 ALDH1A1 (0.39) CACNA1GLMNANR2E1MEN1ALDH1A1
SCHEMBL4250707 0.82 CACNA1G (0.50) CACNA1GLMNAMEN1KMT2AHTR2A
SCHEMBL13994813 0.82 MALT1 (0.47) CACNA1GLMNAMEN1KMT2AHTR2A
SCHEMBL5011575 0.82 DRD3 (0.44) CACNA1GLMNAMEN1KMT2AHTR2A
SCHEMBL4253374 0.81 MALT1 (0.48) CACNA1GHTR2ACHRM2ADRA2ACYP2D6

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 2/4885P2RX7 253/4885LMNA 1425/4885

“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.