SCHEMBL6793170

SCHEMBL6793170

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 3/20 0.59
DPP4 P27487 2/20 0.59
DPP8 Q6V1X1 2/20 0.59
ITGB3 P05106 6/20 0.45
ITGA2B P08514 5/20 0.45
CHRM1 P11229 1/20 0.44
MMP2 P08253 1/20 0.43
ITGAV P06756 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F10 P00742 1/20 0.43
CHKA P35790 1/20 0.42
GRM5 P41594 1/20 0.41

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
SCHEMBL8549663 0.81 ITGB3 (0.47) DPP7DPP4DPP8ITGB3ITGA2B
SCHEMBL7854638 0.79 DPP7 (0.53) DPP7DPP4DPP8
SCHEMBL7854636 0.79 DPP7 (0.53) DPP7DPP4DPP8
SCHEMBL6657763 0.77 AKT1 (0.59) CHRM1
SCHEMBL6657766 0.77 AKT1 (0.59) CHRM1
SCHEMBL13801421 0.76 MAPT (0.58) ITGB3ITGA2BCHRM1MMP2LMNA
Hydrochloric Acid SCHEMBL3960080 0.76 AKT1 (0.58) CHRM1
SCHEMBL27471218 0.74 ALDH1A1 (0.66) ITGB3ITGA2BLMNAMAPTCHKA
SCHEMBL18803799 0.74 DPP4 (0.46) DPP7DPP4DPP8ITGB3ITGA2B
SCHEMBL18796431 0.74 DPP4 (0.46) DPP7DPP4DPP8ITGB3ITGA2B

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 DPP7 3933/4885DPP4 3442/4885DPP8 4077/4885

“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.