SCHEMBL5568263

SCHEMBL5568263

CCc1ccc(C(=O)CNCCCN2C(=O)NC(C)=C(C(=O)O)C2c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.49
CACNA1F O60840 9/20 0.47
CACNA1D Q01668 9/20 0.47
CACNA1S Q13698 9/20 0.47
CACNA1C Q13936 9/20 0.47
ADORA3 P0DMS8 1/20 0.42
HIF1A Q16665 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL5567929 0.93 CACNA1H (0.51) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5567038 0.91 CACNA1H (0.47) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5568436 0.91 CACNA1H (0.48) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5567332 0.91 CACNA1H (0.47) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5563164 0.90 CACNA1H (0.46) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5567959 0.90 CACNA1H (0.47) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5567169 0.89 CACNA1H (0.45) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5563092 0.88 CACNA1H (0.46) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5568228 0.88 CACNA1H (0.46) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5562846 0.88 CACNA1H (0.46) CACNA1HCACNA1FCACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US claimed
US-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB COMPANY 2005-02-24 US claimed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 WO claimed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB COMPANY 2005-02-24 US disclosed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 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-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function CACNA1E, CACNA1C, CACNA1S CACNA1H 10/4885CACNA1F 6/4885CACNA1D 4/4885

“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.