SCHEMBL4494046

SCHEMBL4494046

CCN(C(c1ccccc1)c1ccccc1)N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRM1 P35372 2/20 0.45
SLC6A4 P31645 8/20 0.44
SLC6A2 P23975 7/20 0.44
OPRK1 P41145 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CACNA1F O60840 2/20 0.40
CACNA1D Q01668 2/20 0.40
KCNH2 Q12809 2/20 0.40
CACNA1S Q13698 2/20 0.40
CACNA1C Q13936 2/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL4492178 0.88 MEN1 (0.44) OPRD1MEN1KMT2AOPRM1SLC6A4
SCHEMBL28884912 0.71 SIGMAR1 (0.42) OPRD1MEN1KMT2AOPRM1SLC6A4
SCHEMBL27705053 0.71 OPRD1 (0.47) OPRD1MEN1KMT2AOPRM1SLC6A4
SCHEMBL14593358 0.69 MC4R (0.71) OPRD1MEN1KMT2ASLC6A4SLC6A2
SCHEMBL14593518 0.69 MC4R (0.71) OPRD1MEN1KMT2ASLC6A4SLC6A2
SCHEMBL5418025 0.69 MC4R (0.71) OPRD1MEN1KMT2ASLC6A4SLC6A2
SCHEMBL28945088 0.68 CHRM5 (0.30)
SCHEMBL3268419 0.68 SLC6A4 (0.68) OPRD1MEN1KMT2AOPRM1SLC6A4
Propane SCHEMBL27542064 0.68 MEN1 (0.82) OPRD1MEN1KMT2AOPRM1SLC6A4
Hydrochloric Acid SCHEMBL5405931 0.68 MC4R (0.69) OPRD1SLC6A4SLC6A2CYP3A4CYP2D6

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 OPRD1 174/4885MEN1 2779/4885KMT2A 4312/4885

“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.