SCHEMBL4483738

SCHEMBL4483738

CC(C)(C)n1nccc1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.39
ACVR1 Q04771 2/20 0.39
DAPK3 O43293 1/20 0.39
RIPK2 O43353 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
CYP1A2 P05177 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
YES1 P07947 1/20 0.39
LYN P07948 1/20 0.39
HCK P08631 1/20 0.39
PDGFRB P09619 1/20 0.39
FGR P09769 1/20 0.39
CYP2C9 P11712 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
PRKACA P17612 1/20 0.39
EPHB2 P29323 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
SCHEMBL4476413 0.83 DRD1 (0.48) DRD1ACVR1RIPK2ABL1EGFR
SCHEMBL19205767 0.81 DRD1 (0.47) DRD1SMN1; SMN2CYP1A2CYP2C19MAPK14
SCHEMBL13045975 0.81 DRD1 (0.46) DRD1SMN1; SMN2ABL1CYP1A2SRC
SCHEMBL19641917 0.75 CNR1 (0.44) TP53
SCHEMBL4311743 0.75 DRD1 (0.42) DRD1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL17369090 0.75 CYP1A2 (0.53) DRD1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL17846276 0.71 PDE10A (0.32) DRD1
SCHEMBL22402941 0.70 LCK (0.46) SMN1; SMN2ACVR1DAPK3RIPK2ABL1
SCHEMBL4252489 0.67 P2RY6 (0.40) SMN1; SMN2ACVR1DAPK3RIPK2ABL1
SCHEMBL17086616 0.67 ALDH1A1 (0.55) SMN1; SMN2MAPK9MAPK10MAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 DRD1 1132/4885SMN1; SMN2 686/4885ACVR1 3134/4885

“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.