SCHEMBL5568223

SCHEMBL5568223

CC1=C(C(=O)O)C(c2cccc(Cl)c2)N(CCCNCC(=O)Nc2ccc(-c3ccccc3)cc2)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 7/20 0.47
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.38
HDAC1 Q13547 2/20 0.38
TP53 P04637 1/20 0.38
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
PARP1 P09874 1/20 0.36
CACNA1H O95180 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
SCHEMBL5569046 0.92 CACNA1B (0.45) CACNA1BADRA1DADRA1AADRA1BALDH1A1
SCHEMBL5568219 0.85 CACNA1B (0.43) CACNA1BADRA1DADRA1AADRA1BHTT
SCHEMBL5562891 0.83 ADRA1D (0.42) CACNA1BADRA1DADRA1AADRA1BALDH1A1
SCHEMBL5567409 0.83 ADRA1D (0.40) CACNA1BADRA1DADRA1AADRA1BMAPT
SCHEMBL5564901 0.79 ADRA1D (0.42) CACNA1BADRA1DADRA1AADRA1BHTT
SCHEMBL5564791 0.79 ADRA1D (0.39) CACNA1BADRA1DADRA1AADRA1BNPC1
SCHEMBL5564549 0.79 ALDH1A1 (0.43) CACNA1BADRA1DADRA1AADRA1BNPC1
SCHEMBL5569027 0.79 ADRA1D (0.40) CACNA1BADRA1DADRA1AADRA1BMAPT
SCHEMBL5568264 0.79 ADRA1D (0.39) CACNA1BADRA1DADRA1AADRA1BALDH1A1
SCHEMBL5563109 0.78 ADRA1D (0.40) CACNA1BADRA1DADRA1AADRA1BALDH1A1

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 CACNA1B 7/4885ADRA1D 170/4885ADRA1A 175/4885

“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.