SCHEMBL6792840

SCHEMBL6792840

CC(C)(C)OC(=O)NC1CCN(C(=O)C2CCN(c3ccncc3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 5/20 0.47
USP30 Q70CQ3 1/20 0.47
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
CYP2C9 P11712 1/20 0.45
HSD11B1 P28845 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
ADORA2A P29274 2/20 0.44
LSS P48449 1/20 0.44
PARP1 P09874 1/20 0.44
ADORA2B P29275 1/20 0.44
CTSK P43235 2/20 0.44
F10 P00742 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
KDM6A O15550 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
SCHEMBL1456142 0.87 CKS1B (0.54) KDM4DCKS1BSKP1SKP2GPR119
SCHEMBL15731609 0.82 HSD11B1 (0.58) USP30CYP2C9HSD11B1PARP1CTSK
SCHEMBL13758488 0.81 POLB (0.55) GPR119
SCHEMBL13613090 0.81 POLB (0.55) GPR119
SCHEMBL20416018 0.80 HSD11B1 (0.54) CYP2C9HSD11B1PARP1CTSKHDAC3
SCHEMBL19024479 0.80 HSD11B1 (0.54) USP30CYP2C9HSD11B1PARP1CTSK
SCHEMBL4705652 0.79 MAP4K4 (0.52) KDM4DCTSKKDM6A
SCHEMBL6182019 0.79 GPR119 (0.60) GPR119LSS
SCHEMBL322156 0.79 RECQL (0.53) CYP2C9HSD11B1PARP1CTSK
SCHEMBL322155 0.79 RECQL (0.53) CYP2C9HSD11B1PARP1CTSK

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-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

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 KDM4D 3233/4885USP30 4773/4885CKS1B 1240/4885

“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.