SCHEMBL4245208

SCHEMBL4245208

CCCc1cc(CCN(CC)CC(C)N2CCN(c3cccc(C)c3C)CC2)nn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
HTR2A P28223 6/20 0.38
HTR2C P28335 6/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 3/20 0.37
SLC6A4 P31645 4/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
OPRM1 P35372 1/20 0.34
CACNA1G O43497 1/20 0.34

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
SCHEMBL4245605 0.86 MEN1 (0.47) MAPTHTR2AHTR2CALDH1A1MEN1
SCHEMBL4253270 0.83 HTR2A (0.42) MAPTHTR2AHTR2CALDH1A1MEN1
SCHEMBL3231847 0.78 MEN1 (0.53) HTR2AHTR2CALDH1A1MEN1KMT2A
SCHEMBL4253269 0.78 HTR2A (0.43) MAPTHTR2AHTR2CALDH1A1MEN1
SCHEMBL4247763 0.77 MEN1 (0.49) MAPTHTR2AHTR2CALDH1A1MEN1
SCHEMBL4245206 0.77 HTR2A (0.40) MAPTHTR2AHTR2CALDH1A1MEN1
SCHEMBL3219753 0.76 MEN1 (0.53) MAPTHTR2AHTR2CALDH1A1MEN1
SCHEMBL4248974 0.76 MEN1 (0.48) MAPTHTR2AHTR2CALDH1A1MEN1
SCHEMBL4249397 0.75 CACNA1G (0.53) HTR2AHTR2CALDH1A1MEN1KMT2A
SCHEMBL4248339 0.73 CACNA1G (0.57) HTR2AHTR2CALDH1A1MEN1KMT2A

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 MAPT 2721/4885HTR2A 3587/4885HTR2C 3302/4885

“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.