SCHEMBL5569048

SCHEMBL5569048

CC1=C(C(=O)O)C(c2cccc(Cl)c2)N(CCCN(C)C(=O)Nc2ccc(F)cc2)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.41
HTT P42858 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPT P10636 2/20 0.37
ACHE P22303 1/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
GAA P10253 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 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
SCHEMBL5568219 0.92 CACNA1B (0.43) CACNA1BHTTMAPTACHEADRA1D
SCHEMBL5563397 0.90 NPY5R (0.44) CACNA1BHTTMAPTADRA1DADRA1A
SCHEMBL5568254 0.89 XBP1 (0.40) CACNA1BSLC6A3MAPTACHEADRA1D
SCHEMBL5563157 0.85 HTT (0.39) CACNA1BHTTACHEADRA1DADRA1A
SCHEMBL5564962 0.85 HTT (0.38) CACNA1BHTTACHEADRA1DADRA1A
SCHEMBL5569046 0.85 CACNA1B (0.45) CACNA1BMAPTADRA1DADRA1AADRA1B
SCHEMBL5563145 0.85 CACNA1B (0.43) CACNA1BHTTMAPTADRA1DADRA1A
SCHEMBL5563888 0.85 CACNA1F (0.38) CACNA1BHTTMAPTACHEADRA1D
SCHEMBL5562940 0.84 HTT (0.37) CACNA1BHTTACHEADRA1DADRA1A
SCHEMBL5567353 0.83 CACNA1F (0.37) CACNA1BHTTACHEADRA1DADRA1A

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 CACNA1B 7/4885HTT 2627/4885SLC6A3 1041/4885

“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.