SCHEMBL3093274

SCHEMBL3093274

C[C@@H](NC(=O)Cc1ccc2cc[nH]c2c1)c1ccc(OCc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 4/20 0.47
CACNA1G O43497 2/20 0.47
CACNA1H O95180 2/20 0.47
CNR2 P34972 1/20 0.47
KCNH2 Q12809 1/20 0.47
NLRP3 Q96P20 3/20 0.46
APP P05067 1/20 0.45
MAPT P10636 1/20 0.45
ECE1 P42892 1/20 0.42
ACACB O00763 3/20 0.42
ACACA Q13085 3/20 0.42
SLC22A12 Q96S37 1/20 0.41
P4HTM Q9NXG6 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 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
SCHEMBL3090845 0.89 CACNA1I (0.50) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3097144 0.85 CACNA1I (0.67) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3096617 0.84 CACNA1I (0.48) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1063816 0.80 CACNA1I (0.56) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1057458 0.77 CACNA1I (0.53) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1059691 0.76 KMT2A (0.50) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1063713 0.76 MAOB (0.45) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2138030 0.73 SIRT2 (0.56) MAPTECE1SIRT2
SCHEMBL2138020 0.73 SIRT2 (0.56) MAPTECE1SIRT2
Acetic Acid Methyl Ester SCHEMBL6664145 0.73 APP (0.60) APPMAPT

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 5 patents. 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 claimed
US-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-09-30 US disclosed
US-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-09-30 US disclosed
US-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-09-30 US disclosed
WO-2009054983-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2009-04-30 WO 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.