SCHEMBL4250693

SCHEMBL4250693

Cc1cccc(N2CCN(CCNCc3cc(-c4ccco4)n(-c4ccccc4)n3)CC2)c1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.47
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 8/20 0.41
HTR2C P28335 8/20 0.41
SLC6A4 P31645 8/20 0.41
DRD2 P14416 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4248748 0.88 CACNA1G (0.49) CACNA1GMAPTALDH1A1KDM4EHPGD
SCHEMBL4246632 0.88 CACNA1G (0.54) CACNA1GALDH1A1MEN1KMT2AHTR2A
SCHEMBL4250214 0.87 ALDH1A1 (0.47) CACNA1GMAPTALDH1A1KDM4EHPGD
SCHEMBL4246652 0.87 ADORA2A (0.42) CACNA1GMAPTALDH1A1KDM4EHPGD
SCHEMBL3305388 0.85 SMN1; SMN2 (0.45) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4248244 0.85 CACNA1G (0.51) CACNA1GMAPTALDH1A1HPGDMEN1
SCHEMBL4251285 0.83 CACNA1G (0.49) CACNA1GMAPTALDH1A1KDM4EHPGD
SCHEMBL5011452 0.82 CACNA1G (0.45) CACNA1GMAPTALDH1A1KDM4EHPGD
SCHEMBL4250842 0.82 CACNA1G (0.47) CACNA1GALDH1A1MEN1KMT2AHTR2A
SCHEMBL4250450 0.82 CACNA1G (0.48) CACNA1GMAPTALDH1A1KDM4EHPGD

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 2/4885MAPT 2721/4885ALDH1A1 2701/4885

“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.