SCHEMBL489218

SCHEMBL489218

CCCCCCCCCCCCCCCc1cccc(OC)c1C1C(C(=O)OCC)=C(C)NC(=O)N1C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 9/20 0.48
CACNA1D Q01668 9/20 0.48
CACNA1S Q13698 9/20 0.48
CACNA1C Q13936 9/20 0.48
PDE1C Q14123 3/20 0.47
PPARA Q07869 1/20 0.45
ADORA2B P29275 1/20 0.43
ATM Q13315 1/20 0.43
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX5 P09917 1/20 0.41

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
SCHEMBL13436313 0.95 PPARA (0.44) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C
SCHEMBL15468439 0.93 CACNA1F (0.49) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C
SCHEMBL13436315 0.92 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C
SCHEMBL3524664 0.92 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CPPARA
SCHEMBL3521495 0.92 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CPPARA
SCHEMBL13436314 0.90 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C
SCHEMBL13436317 0.87 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CPDE1C
SCHEMBL3524654 0.86 ATM (0.49) CACNA1FCACNA1DCACNA1SCACNA1CPPARA
SCHEMBL3523427 0.85 CACNA1F (0.55) CACNA1FCACNA1DCACNA1SCACNA1CATM
SCHEMBL3522629 0.85 CACNA1F (0.55) CACNA1FCACNA1DCACNA1SCACNA1CATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687511-B2 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcium channel blockers PULLELA PHANI KUMAR 2010-03-30 US claimed
US-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS PULLELA PHANI KUMAR 2008-05-29 US claimed
US-8106062-B1 Calcium channel blockers DIAKRON PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-7687511-B2 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcium channel blockers PULLELA PHANI KUMAR 2010-03-30 US disclosed
US-7687511-B2 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcium channel blockers PULLELA PHANI KUMAR 2010-03-30 US disclosed
US-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS PULLELA PHANI KUMAR 2008-05-29 US disclosed
US-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS PULLELA PHANI KUMAR 2008-05-29 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-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS ORAI1, RYR2, RYR1 CACNA1F 17/4885CACNA1D 19/4885CACNA1S 31/4885

“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.