SCHEMBL7380960

SCHEMBL7380960

CCCN1CCN(N=Cc2ccc(C3=NOC(CN4CCC(CC(=O)O)CC4)C3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MIF P14174 14/20 0.41
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL7381769 0.92 MIF (0.43) MIFITGB3ITGA2BHDAC6NPC1
SCHEMBL7374636 0.90 MIF (0.45) MIFITGB3ITGA2BHDAC6RAB9A
SCHEMBL7374985 0.89 MIF (0.44) MIFITGB3ITGA2BHDAC6NPC1
SCHEMBL7375560 0.88 MIF (0.43) MIFITGB3ITGA2BHDAC6NPC1
SCHEMBL7668276 0.88 MIF (0.38) MIFHDAC6
SCHEMBL7373243 0.88 MIF (0.38) MIFHDAC6
SCHEMBL7378324 0.87 MIF (0.43) MIFITGB3ITGA2BHDAC6
SCHEMBL7378955 0.87 RAB9A (0.46) MIFITGB3ITGA2BGAANPC1
SCHEMBL7529700 0.87 MIF (0.38) MIFITGB3ITGA2BHDAC6GAA
SCHEMBL7377514 0.86 MIF (0.41) MIFITGB3ITGA2BHDAC6

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 7 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
EP-1131320-A1 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-09-12 EP disclosed
WO-2000029407-A1 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-05-25 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-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists FGB, F2, F13B MIF 1949/4885ITGB3 268/4885ITGA2B 95/4885

“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.