SCHEMBL5562873

SCHEMBL5562873

CC1=C(C(=O)O)C(c2cccc(Cl)c2)N(CCCN(C)C(=O)c2ccc(OCc3ccccc3)cc2)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MBTPS1 Q14703 1/20 0.43
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CACNA1B Q00975 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 2/20 0.37
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL5567824 0.92 HTT (0.39) CACNA1BHTT
SCHEMBL5563112 0.91 CACNA1F (0.40) ALDH1A1CACNA1BHTT
SCHEMBL5568028 0.91 HTT (0.40) CACNA1BHTT
SCHEMBL5568485 0.89 HTT (0.39) CACNA1BHTT
SCHEMBL5569023 0.89 HTT (0.42) CACNA1BHTT
SCHEMBL5562887 0.89 HTT (0.43) CACNA1BHTT
SCHEMBL5567175 0.88 HTT (0.40) CACNA1BHTT
SCHEMBL5562712 0.88 HTT (0.39) CACNA1BHTT
SCHEMBL5568470 0.87 CACNA1B (0.45) ALDH1A1CACNA1BHTTTDP1
SCHEMBL5563173 0.87 CACNA1B (0.40) CACNA1BHTT

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
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 MBTPS1 992/4885RXRA 3343/4885RXRB 3543/4885

“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.