SCHEMBL13181759

SCHEMBL13181759

CCOc1ccc([C@@H](C)NC(=O)Cc2ccc3c(c2)NCC3)nc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 4/20 0.48
CACNA1G O43497 2/20 0.48
CACNA1H O95180 2/20 0.48
CNR2 P34972 2/20 0.48
KCNH2 Q12809 1/20 0.48
PPARG P37231 3/20 0.39
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
ACACB O00763 7/20 0.38
SLC22A12 Q96S37 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
KMT2A Q03164 1/20 0.36
ADAM17 P78536 2/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL12932743 0.79 CACNA1I (0.57) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3090845 0.78 CACNA1I (0.50) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1065226 0.76 CACNA1I (0.65) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL13181919 0.72 CACNA1I (0.65) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3093274 0.70 CACNA1I (0.47) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL15880148 0.69 HRH3 (0.48) PPARGPPARDPPARAJAK2JAK3
SCHEMBL1063999 0.69 CACNA1I (0.67) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1061452 0.69 CACNA1I (0.73) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL11977139 0.69 GFER (0.47) PPARGPPARDPPARAJAK2JAK3
SCHEMBL3096617 0.69 CACNA1I (0.48) CACNA1ICACNA1GCACNA1HCNR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-09-30 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-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS CACNA1G, CACNA1H, CACNA1I CACNA1I 3/4885CACNA1G 1/4885CACNA1H 2/4885

“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.