SCHEMBL5568165

SCHEMBL5568165

COc1cccc(OCCC(=O)CNCCCN2C(=O)NC(C)=C(C(=O)O)C2c2cccc(Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
CACNA1B Q00975 2/20 0.37
MAPT P10636 3/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 2/20 0.35
THRB P10828 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL5567440 0.92 ADRA1D (0.41) ADRA1DADRA1AADRA1BALOX15SMN1; SMN2
SCHEMBL5567352 0.89 ADRA1D (0.39) ADRA1DADRA1AADRA1BCACNA1BMAPT
SCHEMBL5568577 0.84 ADRA1D (0.37) ADRA1DADRA1AADRA1BCACNA1B
SCHEMBL5568168 0.84 KDM4E (0.39) ADRA1DADRA1AADRA1BALOX15SMN1; SMN2
SCHEMBL5564901 0.83 ADRA1D (0.42) ADRA1DADRA1AADRA1BSMN1; SMN2CACNA1B
SCHEMBL5563886 0.81 ADRA1D (0.39) ADRA1DADRA1AADRA1BCACNA1BMAPT
SCHEMBL5564549 0.81 ALDH1A1 (0.43) ADRA1DADRA1AADRA1BCACNA1BMAPT
SCHEMBL5564959 0.81 ADRA1D (0.38) ADRA1DADRA1AADRA1BCACNA1BMAPT
SCHEMBL5562936 0.79 ADRA1D (0.38) ADRA1DADRA1AADRA1BCACNA1BMAPT
SCHEMBL5567442 0.79 SMN1; SMN2 (0.38) ADRA1DADRA1AADRA1BALOX15SMN1; SMN2

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 4 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

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 ADRA1D 170/4885ADRA1A 175/4885ADRA1B 191/4885

“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.