SCHEMBL3690074

SCHEMBL3690074

CCC[C@H](C(N)=O)n1c(=O)c2ccccc2n(C(C)c2c[nH]c3cccc(C)c23)c1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 8/20 0.39
▸ GPR84 Q9NQS5 2/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ GPR139 Q6DWJ6 1/20 0.33
▸ CNR2 P34972 4/20 0.31
▸ CNR1 P21554 3/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL3690079 1.00 CMA1 (0.39) CMA1GPR84FFAR1GPR139CNR2
SCHEMBL3681840 0.92 CMA1 (0.47) CMA1GPR84FFAR1KMT2A
SCHEMBL3681842 0.92 CMA1 (0.47) CMA1GPR84FFAR1KMT2A
SCHEMBL3699285 0.92 CMA1 (0.47) CMA1GPR84FFAR1KMT2A
SCHEMBL3694201 0.90 CMA1 (0.38) CMA1GPR84FFAR1GPR139CNR2
SCHEMBL3682510 0.87 CMA1 (0.48) CMA1GPR84FFAR1CNR2CNR1
SCHEMBL3688465 0.87 CMA1 (0.48) CMA1GPR84FFAR1CNR2CNR1
SCHEMBL3685360 0.87 CMA1 (0.48) CMA1GPR84FFAR1CNR2CNR1
SCHEMBL3688507 0.86 POLB (0.42) CMA1GPR84KMT2A
SCHEMBL3688934 0.86 POLB (0.42) CMA1GPR84KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188277-B1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-11-21 — — EP claimed
EP-2188277-A1 QUINAZOLINEDIONE CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2010-05-26 — — EP claimed
WO-2009023655-A1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 — — WO claimed
US-8377949-B2 Quinazolinedione chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-19 — — US disclosed
EP-2188277-B1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-11-21 — — EP disclosed
US-20120122863-A1 Quinazolinedione Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 — — US disclosed
EP-2188277-A1 QUINAZOLINEDIONE CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2010-05-26 — — EP disclosed
WO-2009023655-A1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 — — 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-20120122863-A1 Quinazolinedione Chymase Inhibitors CMA1, CTSC, TPSG1 CMA1 1/4885GPR84 371/4885FFAR1 2510/4885

“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.

Send feedback