SCHEMBL4251285

SCHEMBL4251285

Clc1cccc(N2CCN(CCNCc3cc(-c4ccco4)n(-c4ccccc4)n3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 3/20 0.48
KMT2A Q03164 1/20 0.48
SIGMAR1 Q99720 2/20 0.45
PKM P14618 1/20 0.45
ADORA2A P29274 1/20 0.44
POLB P06746 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR1A P08908 2/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL5011452 0.92 CACNA1G (0.45) CACNA1GALDH1A1LMNAMAPK1MAPT
SCHEMBL4250214 0.92 ALDH1A1 (0.47) CACNA1GALDH1A1LMNAMAPK1MAPT
SCHEMBL4245913 0.85 HTR1A (0.43) ALDH1A1LMNAMAPTKMT2APOLB
SCHEMBL4250450 0.84 CACNA1G (0.48) CACNA1GALDH1A1MAPTADORA2AKDM4E
SCHEMBL4246652 0.84 ADORA2A (0.42) CACNA1GALDH1A1MAPTADORA2APOLB
SCHEMBL4250693 0.83 CACNA1G (0.47) CACNA1GALDH1A1LMNAMAPTKMT2A
SCHEMBL4248059 0.83 DRD3 (0.41) CACNA1GALDH1A1MAPTKCNH2KDM4E
SCHEMBL4255387 0.82 ALDH1A1 (0.59) CACNA1GALDH1A1LMNAMAPK1MAPT
SCHEMBL4245576 0.82 ALDH1A1 (0.43) CACNA1GALDH1A1LMNAMAPTKMT2A
SCHEMBL4248748 0.82 CACNA1G (0.49) CACNA1GALDH1A1MAPTKMT2APKM

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 12 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-20080312253-A1 Pharmaceutical compositions containing pyrazole derivatives for treating as serotonin antagonist KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 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-20080312253-A1 Pharmaceutical compositions containing pyrazole derivatives for treating as serotonin antagonist KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 US disclosed
US-20080312253-A1 Pharmaceutical compositions containing pyrazole derivatives for treating as serotonin antagonist KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 US disclosed
US-20080312253-A1 Pharmaceutical compositions containing pyrazole derivatives for treating as serotonin antagonist KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 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 (2 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-20080312253-A1 Pharmaceutical compositions containing pyrazole derivatives for treating as serotonin antagonist HTR3A, HTR3B, HTR3E CACNA1G 1316/4885ALDH1A1 2780/4885LMNA 2407/4885
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof CACNA1I, CACNA1G, CACNA1H CACNA1G 2/4885ALDH1A1 2701/4885LMNA 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.