SCHEMBL7663758

SCHEMBL7663758

CN1CCN(C(=N)c2ccc(C3=NOC(CN4CCC(CC(=O)O)CC4)C3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.46
ITGA2B P08514 13/20 0.46
MIF P14174 5/20 0.44
ITGB2 P05107 1/20 0.42
ITGAM P11215 1/20 0.42
F10 P00742 3/20 0.40
F2 P00734 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL7663617 0.92 ITGB3 (0.44) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7666064 0.92 ITGB3 (0.52) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7663989 0.91 ITGB3 (0.51) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7666290 0.90 ITGB3 (0.47) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7668496 0.89 ITGB3 (0.48) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7661403 0.89 MAPT (0.46) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7663448 0.88 ITGB3 (0.47) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7534034 0.85 ITGB3 (0.42) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7669754 0.85 ITGB3 (0.62) ITGB3ITGA2BMIFITGB2ITGAM
SCHEMBL7673353 0.83 ITGB3 (0.44) ITGB3ITGA2BMIFITGB2ITGAM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455560-B1 SUBSTITUTED (1-((3-ISOXAZOLIN-5-YL)CARBONYL/METHYL) -4-PIPERIDINYL) ACETIC ACID FOR USE IN INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND FOR INHIBITING THE AGGREGATION OF BLOOD PLATELETS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 US claimed
US-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 US claimed
US-6455560-B1 SUBSTITUTED (1-((3-ISOXAZOLIN-5-YL)CARBONYL/METHYL) -4-PIPERIDINYL) ACETIC ACID FOR USE IN INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND FOR INHIBITING THE AGGREGATION OF BLOOD PLATELETS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 US disclosed
US-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 US disclosed
US-6319937-B1 INHIBITION OF PLATELET AGGREGATION, AS THROMBOLYTICS, AND/OR TREATMENT OF THROMBOEMBOLIC DISORDERS. DUPONT PHARMACEUTICALS COMPANY 2001-11-20 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-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists FGB, F2, F13B ITGB3 268/4885ITGA2B 95/4885MIF 1949/4885

“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.