SCHEMBL4245211

SCHEMBL4245211

CCCc1c(CCNCC)c(CC(C)N2CCN(c3cccc(C)c3C)CC2)nn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.40
HTR2C P28335 14/20 0.40
CACNA1G O43497 2/20 0.39
SLC6A4 P31645 12/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4245608 0.85 MEN1 (0.51) HTR2AHTR2CCACNA1GSLC6A4MEN1
SCHEMBL4247769 0.77 MEN1 (0.52) HTR2AHTR2CCACNA1GSLC6A4MEN1
SCHEMBL4253270 0.77 HTR2A (0.42) HTR2AHTR2CCACNA1GSLC6A4MEN1
SCHEMBL4248979 0.73 MEN1 (0.52) HTR2AHTR2CCACNA1GSLC6A4MEN1
SCHEMBL4253269 0.73 HTR2A (0.43) HTR2AHTR2CCACNA1GSLC6A4MEN1
SCHEMBL4245206 0.71 HTR2A (0.40) HTR2AHTR2CCACNA1GSLC6A4MEN1
SCHEMBL4251700 0.69 MAPT (0.42) HTR2AHTR2CSLC6A4MEN1ALDH1A1
SCHEMBL4250714 0.69 HTR2A (0.41) HTR2AHTR2CSLC6A4LMNA
SCHEMBL4245208 0.69 MAPT (0.40) HTR2AHTR2CCACNA1GSLC6A4MEN1
SCHEMBL4249394 0.68 MEN1 (0.47) HTR2AHTR2CCACNA1GSLC6A4MEN1

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 HTR2A 3587/4885HTR2C 3302/4885CACNA1G 2/4885

“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.