SCHEMBL5562887

SCHEMBL5562887

CC1=C(C(=O)O)C(c2cccc(Cl)c2)N(CCCN(C)C(=O)c2ccc(C(=O)c3ccccc3)cc2)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
CACNA1B Q00975 8/20 0.41
CXCR3 P49682 2/20 0.39
ACHE P22303 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
BRD4 O60885 1/20 0.37
MAPT P10636 1/20 0.36
SLC6A7 Q99884 1/20 0.36

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 0.92 HTT (0.40) HTTCACNA1BACHEADRA1DADRA1A
SCHEMBL5564795 0.91 HTT (0.41) HTTCACNA1BACHEADRA1DADRA1A
SCHEMBL5563145 0.90 CACNA1B (0.43) HTTCACNA1BADRA1DADRA1AADRA1B
SCHEMBL5567824 0.90 HTT (0.39) HTTCACNA1BADRA1DADRA1AADRA1B
SCHEMBL5569023 0.90 HTT (0.42) HTTCACNA1BCXCR3ACHEADRA1D
SCHEMBL5568267 0.89 HTT (0.39) HTTCACNA1BACHEADRA1DADRA1A
SCHEMBL5563112 0.89 CACNA1F (0.40) HTTCACNA1BACHEADRA1DADRA1A
SCHEMBL5567175 0.89 HTT (0.40) HTTCACNA1BACHEADRA1DADRA1A
SCHEMBL5567411 0.89 HTT (0.40) HTTCACNA1BACHEADRA1DADRA1A
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 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 HTT 2627/4885CACNA1B 7/4885CXCR3 2986/4885

“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.