SCHEMBL5563516

SCHEMBL5563516

CC1=NN(c2ccc(C(=O)CNCCCN3C(=O)NC(C)=C(C(=O)O)C3c3cccc(Cl)c3)cc2)C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 3/20 0.41
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
SMYD3 Q9H7B4 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
POLB P06746 3/20 0.38
CASP6 P55212 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CACNA1B Q00975 3/20 0.35
THRB P10828 1/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL5562891 0.85 ADRA1D (0.42) MAPTKDM4EKMT2AADRA1DADRA1A
SCHEMBL5563519 0.85 MAPT (0.41) MAPTKDM4EKMT2AGAAADRA1D
SCHEMBL5568264 0.84 ADRA1D (0.39) MAPTKMT2AADRA1DADRA1AADRA1B
SCHEMBL5564791 0.83 ADRA1D (0.39) MAPTKMT2AADRA1DADRA1AADRA1B
SCHEMBL5569027 0.83 ADRA1D (0.40) MAPTKMT2AADRA1DADRA1AADRA1B
SCHEMBL5567409 0.82 ADRA1D (0.40) MAPTADRA1DADRA1AADRA1BCACNA1B
SCHEMBL5563109 0.82 ADRA1D (0.40) MAPTGAAADRA1DADRA1AADRA1B
SCHEMBL5562710 0.81 ADRA1D (0.39) MAPTADRA1DADRA1AADRA1BHTT
SCHEMBL5568481 0.81 ADRA1D (0.39) MAPTADRA1DADRA1AADRA1BLMNA
SCHEMBL5563153 0.81 ADRA1D (0.39) MAPTADRA1DADRA1AADRA1BCACNA1B

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 MAPT 1236/4885KDM4E 1519/4885KMT2A 3315/4885

“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.