SCHEMBL6792152

SCHEMBL6792152

O=C(NC(CNC(=O)C1CCN(c2ccncc2)CC1)C(=O)N1CCCCC1)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.69
ITGA2B P08514 8/20 0.69
F10 P00742 1/20 0.49
TGM2 P21980 2/20 0.47
CTSK P43235 7/20 0.46
CTSL P07711 6/20 0.46
CTSB P07858 3/20 0.46
DPP4 P27487 1/20 0.44
KCNH2 Q12809 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
CTSS P25774 2/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6789616 0.86 ITGB3 (0.71) ITGB3ITGA2BF10CTSKCTSL
SCHEMBL8542353 0.83 ITGB3 (0.48) ITGB3ITGA2BF10GFERSMN1; SMN2
Hydrochloric Acid SCHEMBL8542083 0.82 ITGB3 (0.47) ITGB3ITGA2BF10GFERSMN1; SMN2
SCHEMBL7014192 0.81 ITGB3 (1.00) ITGB3ITGA2BF10
SCHEMBL8548825 0.81 ITGB3 (0.48) ITGB3ITGA2BF10GFERSMN1; SMN2
Hydrochloric Acid SCHEMBL6786102 0.81 ITGB3 (0.47) ITGB3ITGA2BF10GFERSMN1; SMN2
SCHEMBL6792014 0.80 ITGB3 (0.70) ITGB3ITGA2BTGM2CTSKCTSL
SCHEMBL8548990 0.79 ITGB3 (0.45) ITGB3ITGA2BF10
SCHEMBL6793529 0.79 CCR1 (0.44) ITGB3ITGA2BF10TGM2CTSB
SCHEMBL14305072 0.78 TGM2 (0.54) ITGB3ITGA2BTGM2CTSKCTSL

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 708/4885F10 35/4885

“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.