SCHEMBL7028538

SCHEMBL7028538

CN(C(=O)c1ccc2c(c1)CCN(CC(=O)OC(C)(C)C)C2=O)c1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
HRH3 Q9Y5N1 8/20 0.41
AOC3 Q16853 6/20 0.39
KCNH2 Q12809 3/20 0.39
HTR1A P08908 1/20 0.39
MCHR1 Q99705 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL7028544 0.82 EPHX2 (0.48) ITGB3ITGA2BHRH3AOC3DRD2
SCHEMBL4419892 0.79 ITGB3 (0.59) ITGB3ITGA2BHRH3AOC3
SCHEMBL7295945 0.74 MCHR1 (0.45) ITGB3ITGA2BMCHR1DRD2
SCHEMBL25362979 0.74 AOC3 (0.48) ITGB3ITGA2BAOC3
SCHEMBL30530638 0.74 AOC3 (0.48) ITGB3ITGA2BAOC3
SCHEMBL4423740 0.72 ITGB3 (0.56) ITGB3ITGA2BHRH3AOC3
SCHEMBL29677014 0.71 MAPK1 (0.46) ITGB3ITGA2BAOC3DRD2DRD4
Trifluoroacetic Acid SCHEMBL7119494 0.71 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL8379044 0.71 ROCK2 (0.45)
SCHEMBL30530722 0.70 ITGB3 (0.53) ITGB3ITGA2BAOC3

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-20030135045-A1 Glycoprotein IIb/IIIa antagonists FISHER MATTHEW J (US) 2003-07-17 US disclosed
US-6472405-B1 Glycoprotein IIB/IIIA antagonists ELI LILLY AND COMPANY 2002-10-29 US disclosed
EP-0635492-B1 Glycoprotein IIb/IIIa antagonists LILLY CO ELI (US) 2002-10-02 EP disclosed
US-6137002-A USEFUL FOR PREVENTION OF THROMBOSIS; FOR TREATING ATHEROSCLEROSIS AND ARTERIOSCLEROSIS, ACUTE MYOCARDIAL INFARCTION, CHRONIC STABLE ANGINA, UNSTABLE ANGINA, TRANSIENT ISCHEMIC ATTACKS AND STROKES, PERIPHERAL VASCULAR DISEASE, ELI LILLY AND COMPANY (US) 2000-10-24 US disclosed
US-5618843-A INHIBIT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1997-04-08 US disclosed
EP-0635492-A1 Glycoprotein IIb/IIIa antagonists ELI LILLY AND COMPANY (US) 1995-01-25 EP 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-20030135045-A1 Glycoprotein IIb/IIIa antagonists GP6, TBXA2R, ITGA2B ITGB3 14/4885ITGA2B 3/4885HRH3 852/4885

“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.