Sugi Predict

Sugi Predict / Compounds / SCHEMBL5564536

SCHEMBL5564536

SCHEMBL5564536

CC1=C(C(=O)O)C(c2cccc(Cl)c2)N(CCCN(C)C(=O)CC(c2ccccc2)c2ccccc2)C(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 9/20 0.45
▸ TACR1 P25103 2/20 0.41
▸ HTT P42858 2/20 0.40
▸ CACNA1F O60840 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 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
SCHEMBL5563353 0.86 HTT (0.40) CACNA1BHTTCACNA1FCACNA1DCACNA1S
SCHEMBL5563096 0.85 HTT (0.39) CACNA1BHTTCACNA1FCACNA1DCACNA1S
SCHEMBL5569515 0.85 CACNA1F (0.40) CACNA1BHTTCACNA1FCACNA1DCACNA1S
SCHEMBL5567878 0.84 CACNA1B (0.39) CACNA1BHTTCACNA1FCACNA1DCACNA1S
SCHEMBL5564467 0.84 CACNA1B (0.38) CACNA1BHTTCACNA1FCACNA1DCACNA1S
SCHEMBL5562887 0.83 HTT (0.43) CACNA1BHTTCACNA1FCACNA1DCACNA1S
SCHEMBL5563078 0.83 HTT (0.39) CACNA1BHTTCACNA1FCACNA1DCACNA1S
SCHEMBL5567821 0.82 CACNA1B (0.40) CACNA1BHTTCACNA1FCACNA1DCACNA1S
SCHEMBL5563291 0.82 HTT (0.38) CACNA1BHTTCACNA1FCACNA1DCACNA1S
SCHEMBL5568470 0.82 CACNA1B (0.45) CACNA1BHTTCACNA1FCACNA1DCACNA1S

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 7/4885TACR1 499/4885HTT 2627/4885

“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.