SCHEMBL2698221

SCHEMBL2698221

CCCCC(CC(=O)O)n1c(=O)c2ncccc2n(C(C)c2c[nH]c3cccc(C)c23)c1=O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 18/20 0.61
▸ HTR1D P28221 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ REN P00797 1/20 0.31

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
SCHEMBL2696236 0.95 CMA1 (0.60) CMA1HTR1DOPRK1
SCHEMBL2698407 0.92 CMA1 (0.59) CMA1HTR1DOPRK1
SCHEMBL2697953 0.92 CMA1 (0.59) CMA1HTR1DOPRK1
SCHEMBL2697949 0.92 CMA1 (0.59) CMA1HTR1DOPRK1
SCHEMBL2698118 0.91 CMA1 (0.62) CMA1HTR1DOPRK1
SCHEMBL3684559 0.87 CMA1 (0.47) CMA1
SCHEMBL1294821 0.87 CMA1 (0.50) CMA1HTR1DOPRK1
SCHEMBL1294825 0.87 CMA1 (0.50) CMA1HTR1DOPRK1
SCHEMBL1294331 0.85 CMA1 (0.50) CMA1HTR1DOPRK1
SCHEMBL1294334 0.85 CMA1 (0.50) CMA1HTR1DOPRK1

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-8501749-B2 Azaquinazolinediones chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-06 — — US disclosed
EP-2391624-B1 AZAQUINAZOLINEDIONES USEFUL AS CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-01-16 — — EP disclosed
US-20120108597-A1 Azaquinazolinediones Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 — — US disclosed
EP-2391624-A1 AZAQUINAZOLINEDIONES USEFUL AS CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-12-07 — — EP disclosed
WO-2010088195-A1 AZAQUINAZOLINEDIONES USEFUL AS CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 — — 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-20120108597-A1 Azaquinazolinediones Chymase Inhibitors CMA1, SERPINB1, CTSC CMA1 1/4885HTR1D 3120/4885OPRK1 4757/4885

“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.

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