SCHEMBL4247012

SCHEMBL4247012

Cc1ccc(-c2cc(CNCCN3CCN(c4ccccc4F)CC3)nn2C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.42
CACNA1G O43497 2/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ADRA1A P35348 4/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4245635 0.92 CACNA1G (0.42) ALDH1A1MAPTSMN1; SMN2KMT2ACACNA1G
SCHEMBL4245916 0.87 CACNA1G (0.46) ALDH1A1MAPTKMT2ACACNA1GTP53
SCHEMBL4245603 0.87 CACNA1G (0.43) MAPTCACNA1GADRA1ADRD2HTR1A
SCHEMBL3232807 0.86 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2KMT2ATP53
SCHEMBL4250494 0.86 CACNA1G (0.47) CACNA1GDRD2HTR1ALMNA
SCHEMBL4249569 0.81 CACNA1G (0.47) MAPTSMN1; SMN2KMT2ACACNA1GTP53
SCHEMBL13994807 0.81 DRD4 (0.46) MAPTCACNA1GKDM4EDRD2HTR1A
SCHEMBL4248054 0.81 CACNA1G (0.45) MAPTSMN1; SMN2CACNA1GTP53DRD2
SCHEMBL4249535 0.81 CACNA1G (0.45) ALDH1A1SMN1; SMN2KMT2ACACNA1GDRD2
SCHEMBL4248063 0.81 CACNA1G (0.39) ALDH1A1MAPTKMT2ACACNA1GTP53

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 2701/4885MAPT 2721/4885SMN1; SMN2 686/4885

“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.