SCHEMBL5568249

SCHEMBL5568249

CC1=C(C(=O)O)C(c2cccc(Cl)c2)N(CCCN(C)C(=O)c2ccc(OC3CCCCC3)cc2)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
CACNA1B Q00975 4/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL5567337 0.91 HTT (0.37) TP53CACNA1BKMT2AHTTMAPT
SCHEMBL5568028 0.88 HTT (0.40) CACNA1BKMT2AHTTMEN1ACHE
SCHEMBL5569023 0.88 HTT (0.42) CACNA1BHTTACHEADRA1DADRA1A
SCHEMBL5563112 0.87 CACNA1F (0.40) TP53CACNA1BKMT2AHTTMAPT
SCHEMBL5567175 0.87 HTT (0.40) CACNA1BHTTMAPTACHEADRA1D
SCHEMBL5562712 0.86 HTT (0.39) CACNA1BHTTACHEADRA1DADRA1A
SCHEMBL5567824 0.86 HTT (0.39) CACNA1BHTTMAPTADRA1DADRA1A
SCHEMBL5568485 0.86 HTT (0.39) CACNA1BHTTACHEADRA1DADRA1A
SCHEMBL5562887 0.86 HTT (0.43) CACNA1BHTTMAPTACHEADRA1D
SCHEMBL5563173 0.85 CACNA1B (0.40) CACNA1BKMT2AHTTMEN1ACHE

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 4 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
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 TP53 3715/4885CACNA1B 7/4885KMT2A 3315/4885

“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.