SCHEMBL4252810

SCHEMBL4252810

CCNN1CCN(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.58
DRD2 P14416 2/20 0.55
SIGMAR1 Q99720 2/20 0.55
DRD4 P21917 2/20 0.47
KCNH2 Q12809 1/20 0.47
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
CHRNB2 P17787 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GFER P55789 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR1A P08908 1/20 0.44
PHGDH O43175 1/20 0.44

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
SCHEMBL27413682 0.85 DRD2 (0.56) CHRNA7DRD2SIGMAR1DRD4KCNH2
SCHEMBL27678018 0.82 SIGMAR1 (0.53) CHRNA7DRD2SIGMAR1DRD4KCNH2
SCHEMBL8313424 0.80 MAPT (0.50) CHRNA7DRD2SIGMAR1DRD4KCNH2
SCHEMBL4255349 0.80 KCNH2 (0.55) SIGMAR1KCNH2CYP3A4MAPTALDH1A1
SCHEMBL4251573 0.79 DRD2 (0.59) DRD2SIGMAR1HSD17B10MAPTALDH1A1
SCHEMBL1024845 0.78 CHRNA7 (0.53) CHRNA7DRD2SIGMAR1DRD4KCNH2
SCHEMBL5317596 0.77 CHRNA7 (0.44) CHRNA7DRD2SIGMAR1DRD4KCNH2
SCHEMBL164538 0.76 LMNA (0.67) CHRNA7DRD2SIGMAR1DRD4KCNH2
SCHEMBL576454 0.76 LMNA (0.67) CHRNA7DRD2SIGMAR1DRD4KCNH2
SCHEMBL576814 0.76 LMNA (0.67) CHRNA7DRD2SIGMAR1DRD4KCNH2

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 4 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 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 CHRNA7 261/4885DRD2 1498/4885SIGMAR1 1029/4885

“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.