SCHEMBL4246058

SCHEMBL4246058

CC(N)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.71
CHRM2 P08172 4/20 0.71
ADRA2A P08913 4/20 0.71
CHRM1 P11229 4/20 0.71
DRD1 P21728 4/20 0.71
DRD3 P35462 4/20 0.71
SLC6A3 Q01959 4/20 0.71
SLC6A2 P23975 3/20 0.71
SLC6A4 P31645 3/20 0.71
ADRA1A P35348 3/20 0.71
HTR1A P08908 2/20 0.71
TBXA2R P21731 2/20 0.71
BCL2 P10415 1/20 0.71
HRH3 Q9Y5N1 1/20 0.71
CYP2D6 P10635 4/20 0.69
CYP2C19 P33261 2/20 0.69
TSHR P16473 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
OPRM1 P35372 5/20 0.64
SMN1; SMN2 Q16637 2/20 0.64

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
SCHEMBL4249392 0.90 CYP2D6 (0.66) KCNH2CHRM2ADRA2ACHRM1DRD1
SCHEMBL7668121 0.88 CHRM2 (0.83) KCNH2CHRM2ADRA2ACHRM1DRD1
SCHEMBL13900811 0.87 KCNH2 (0.76) KCNH2CHRM2ADRA2ACHRM1DRD1
SCHEMBL16769329 0.87 KCNH2 (0.76) KCNH2CHRM2ADRA2ACHRM1DRD1
SCHEMBL4032844 0.84 KCNH2 (0.71) KCNH2CHRM2ADRA2ACHRM1DRD1
Chlorcyclizine SCHEMBL4383 0.83 KCNH2 (1.00) KCNH2CHRM2ADRA2ACHRM1DRD1
Chlorcyclizine SCHEMBL13724147 0.83 KCNH2 (1.00) KCNH2CHRM2ADRA2ACHRM1DRD1
Chlorcyclizine SCHEMBL12157065 0.83 KCNH2 (1.00) KCNH2CHRM2ADRA2ACHRM1DRD1
Chlorcyclizine SCHEMBL16769331 0.83 KCNH2 (1.00) KCNH2CHRM2ADRA2ACHRM1DRD1
SCHEMBL11212785 0.83 KCNH2 (0.71) KCNH2CHRM2ADRA2ACHRM1DRD1

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 KCNH2 31/4885CHRM2 904/4885ADRA2A 376/4885

“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.