Sugi Predict

Sugi Predict / Compounds / SCHEMBL5568980

SCHEMBL5568980

SCHEMBL5568980

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)N(CCCNCC(=O)C2(c3ccc(Cl)cc3)CCCC2)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 2/20 0.43
▸ ADRA1A P35348 8/20 0.43
▸ ADRA1D P25100 7/20 0.43
▸ ADRA1B P35368 7/20 0.43
▸ ADRA2A P08913 3/20 0.41
▸ ADRA2B P18089 3/20 0.41
▸ ADRA2C P18825 3/20 0.41
▸ CACNA1F O60840 3/20 0.41
▸ CACNA1D Q01668 3/20 0.41
▸ CACNA1S Q13698 3/20 0.41
▸ CACNA1C Q13936 3/20 0.41
▸ MAPT P10636 4/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ABCB1 P08183 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL5568976 0.85 CACNA1F (0.43) CACNA1HADRA1AADRA1DADRA1BADRA2A
SCHEMBL5563148 0.84 CACNA1H (0.46) CACNA1HADRA1AADRA1DADRA1BADRA2A
SCHEMBL5563911 0.83 CACNA1H (0.47) CACNA1HADRA1AADRA1DADRA1BADRA2A
SCHEMBL5568435 0.83 CACNA1H (0.46) CACNA1HADRA1AADRA1DADRA1BADRA2A
SCHEMBL5567902 0.82 CACNA1H (0.46) CACNA1HADRA1AADRA1DADRA1BADRA2A
SCHEMBL5568228 0.82 CACNA1H (0.46) CACNA1HADRA1AADRA1DADRA1BADRA2A
SCHEMBL5567745 0.81 CACNA1H (0.47) CACNA1HADRA1AADRA1DADRA1BADRA2A
SCHEMBL5567929 0.81 CACNA1H (0.51) CACNA1HADRA1AADRA1DADRA1BADRA2A
SCHEMBL5563092 0.80 CACNA1H (0.46) CACNA1HADRA1AADRA1DADRA1BCACNA1F
SCHEMBL5567806 0.79 CACNA1H (0.52) CACNA1HADRA1AADRA1DADRA1BADRA2A

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 CACNA1H 10/4885ADRA1A 175/4885ADRA1D 170/4885

“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.