SCHEMBL6792014

SCHEMBL6792014

O=C(NC(CCC(=O)N1CCN(c2ccncc2)CC1)C(=O)N1CCCCC1)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.70
ITGA2B P08514 9/20 0.70
ITGAV P06756 7/20 0.55
TGM2 P21980 7/20 0.53
ITGB5 P18084 1/20 0.49
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
TGM6 O95932 1/20 0.47
F13A1 P00488 1/20 0.47
TGM1 P22735 1/20 0.47

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
SCHEMBL27456656 0.84 TGM2 (0.61) ITGB3ITGA2BTGM2TGM6F13A1
SCHEMBL3961748 0.84 TGM2 (0.61) ITGB3ITGA2BTGM2TGM6F13A1
SCHEMBL7141576 0.82 ITGB3 (1.00) ITGB3ITGA2BITGAVITGB5
SCHEMBL7141583 0.82 ITGB3 (1.00) ITGB3ITGA2BITGAVITGB5
SCHEMBL8549663 0.82 ITGB3 (0.47) ITGB3ITGA2BTGM2
SCHEMBL29400646 0.81 ITGB3 (0.57) ITGB3ITGA2BITGAVTGM2CTSL
SCHEMBL5130791 0.81 ITGB3 (0.65) ITGB3ITGA2BITGAVITGB5
SCHEMBL28703518 0.81 ITGB3 (0.57) ITGB3ITGA2BITGAVTGM2CTSL
SCHEMBL5579946 0.81 ITGB3 (0.65) ITGB3ITGA2BITGAVITGB5
SCHEMBL3964344 0.81 TGM2 (0.58) ITGB3ITGA2BTGM2TGM6F13A1

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-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2002-08-29 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 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-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents SERPINC1, F2, SULT1E1 ITGB3 254/4885ITGA2B 708/4885ITGAV 834/4885

“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.