SCHEMBL6793529

SCHEMBL6793529

O=C(NC(CNC(=O)C1CCN(c2ccncc2)CC1)C(=O)N1CCCCC1)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
F10 P00742 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
PIN1 Q13526 1/20 0.41
GFER P55789 1/20 0.41
TGM2 P21980 1/20 0.40
HTR1A P08908 1/20 0.40
CAPN1 P07384 1/20 0.40
CTSB P07858 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL6787493 0.84 F10 (0.55) ITGB3ITGA2BF10F2
SCHEMBL6793666 0.84 F10 (0.55) ITGB3ITGA2BF10F2
SCHEMBL6794296 0.82 F10 (0.54) ITGB3ITGA2BF10F2
SCHEMBL8548825 0.82 ITGB3 (0.48) ITGB3ITGA2BF10SMN1; SMN2MEN1
SCHEMBL8542353 0.82 ITGB3 (0.48) ITGB3ITGA2BF10SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6786102 0.82 ITGB3 (0.47) ITGB3ITGA2BF10SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL8542083 0.81 ITGB3 (0.47) ITGB3ITGA2BF10SMN1; SMN2MEN1
SCHEMBL6792769 0.80 F10 (0.54) F10F2
SCHEMBL6792152 0.79 ITGB3 (0.69) ITGB3ITGA2BF10SMN1; SMN2GFER
SCHEMBL8548990 0.79 ITGB3 (0.45) ITGB3ITGA2BF10MEN1KMT2A

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 CCR1 329/4885ITGB3 254/4885ITGA2B 708/4885

“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.