SCHEMBL5564549

SCHEMBL5564549

COc1ccc(CNC(=O)CNCCCN2C(=O)NC(C)=C(C(=O)O)C2c2cccc(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 4/20 0.43
GID4 Q8IVV7 1/20 0.43
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40
CACNA1B Q00975 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5564901 0.88 ADRA1D (0.42) RAB9AKMT2AADRA1DADRA1AADRA1B
SCHEMBL5564551 0.85 RAB9A (0.42) ALDH1A1RAB9ANPC1KMT2AADRA1D
SCHEMBL5567440 0.83 ADRA1D (0.41) RAB9AKMT2AADRA1DADRA1AADRA1B
SCHEMBL5568165 0.81 ADRA1D (0.40) ALDH1A1ADRA1DADRA1AADRA1BMAPT
SCHEMBL5569027 0.81 ADRA1D (0.40) KMT2AADRA1DADRA1AADRA1BMAPT
SCHEMBL5563109 0.80 ADRA1D (0.40) ALDH1A1ADRA1DADRA1AADRA1BMAPT
SCHEMBL5563886 0.80 ADRA1D (0.39) ADRA1DADRA1AADRA1BMAPTLMNA
SCHEMBL5568481 0.80 ADRA1D (0.39) ADRA1DADRA1AADRA1BMAPTLMNA
SCHEMBL5562710 0.80 ADRA1D (0.39) ADRA1DADRA1AADRA1BMAPTHTT
SCHEMBL5569046 0.79 CACNA1B (0.45) ALDH1A1KMT2AADRA1DADRA1AADRA1B

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 ALDH1A1 1639/4885RAB9A 1210/4885NPC1 2512/4885

“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.