SCHEMBL4245576

SCHEMBL4245576

c1ccc(C(c2ccccc2)N2CCN(CCNCc3cc(-c4ccco4)n(-c4ccccc4)n3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
CACNA1G O43497 1/20 0.43
LMNA P02545 3/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL4248059 0.95 DRD3 (0.41) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL4250214 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL4249362 0.86 CACNA1G (0.49) CACNA1GLMNADRD2DRD4DRD3
SCHEMBL3302034 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL5011452 0.83 CACNA1G (0.45) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL4246652 0.82 ADORA2A (0.42) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL4251285 0.82 CACNA1G (0.49) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL4253374 0.81 MALT1 (0.48) CACNA1GUSP2CYP2D6DRD2DRD4
SCHEMBL4247744 0.81 CACNA1G (0.48) ALDH1A1KDM4EHSD17B10CACNA1GLMNA
SCHEMBL4250450 0.80 CACNA1G (0.48) ALDH1A1KDM4EHSD17B10HPGDMAPT

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 ALDH1A1 2701/4885KDM4E 2243/4885HSD17B10 3761/4885

“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.