SCHEMBL5569023

SCHEMBL5569023

CC1=C(C(=O)O)C(c2cccc(Cl)c2)N(CCCN(C)C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
CACNA1B Q00975 6/20 0.39
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
CXCR3 P49682 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
ACHE P22303 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
PTGS1 P23219 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
SCHEMBL5568028 0.97 HTT (0.40) HTTCACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL5567175 0.96 HTT (0.40) HTTCACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL5568485 0.95 HTT (0.39) HTTCACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL5563157 0.94 HTT (0.39) HTTCACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL5563112 0.91 CACNA1F (0.40) HTTCACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL5562712 0.90 HTT (0.39) HTTCACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL5567824 0.90 HTT (0.39) HTTCACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL5562887 0.90 HTT (0.43) HTTCACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL5563173 0.90 CACNA1B (0.40) HTTCACNA1BCACNA1FCACNA1DCACNA1S
SCHEMBL5562873 0.89 MBTPS1 (0.43) HTTCACNA1B

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-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

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 HTT 2627/4885CACNA1B 7/4885CACNA1F 6/4885

“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.