SCHEMBL4494058

SCHEMBL4494058

c1ccc(C(NCCN2CCNCC2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.55
MTOR P42345 1/20 0.53
RAB9A P51151 1/20 0.53
GRM7 Q14831 1/20 0.53
ALOX15 P16050 2/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A4 P31645 2/20 0.44
ACHE P22303 1/20 0.44
CYP2D6 P10635 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL4492195 0.91 SIGMAR1 (0.54) SIGMAR1MTORRAB9AGRM7ALOX15
SCHEMBL8957667 0.84 SIGMAR1 (0.57) SIGMAR1CYP3A4SLC6A4ACHECYP2D6
SCHEMBL5863917 0.76 SIGMAR1 (0.61) SIGMAR1ALDH1A1MEN1KMT2ASLC6A4
SCHEMBL9844401 0.75 PRCP (0.57) SIGMAR1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL28505298 0.75 SIGMAR1 (0.52) SIGMAR1MTORRAB9AALOX15TSHR
SCHEMBL7672095 0.75 SIGMAR1 (0.53) SIGMAR1ALOX15TSHRCYP3A4L3MBTL1
SCHEMBL12318790 0.74 SIGMAR1 (0.56) SIGMAR1ALOX15TSHRCYP3A4L3MBTL1
SCHEMBL8447051 0.73 SIGMAR1 (0.62) SIGMAR1MEN1KMT2ASLC6A4CHRM2
SCHEMBL10649778 0.72 SIGMAR1 (0.56) SIGMAR1
SCHEMBL7598539 0.72 HTR1A (0.58) SIGMAR1SLC6A4

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 SIGMAR1 1029/4885MTOR 1808/4885RAB9A 2022/4885

“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.