SCHEMBL3689548

SCHEMBL3689548

CCCC[C@@H](C(=O)OC)n1c(=O)c2cc(OC)ccc2n(C(C)c2c[nH]c3cccc(C)c23)c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.38
▸ CMA1 P23946 2/20 0.38
▸ MTNR1A P48039 3/20 0.35
▸ MTNR1B P49286 3/20 0.35
▸ GPR139 Q6DWJ6 4/20 0.34
▸ FPR1 P21462 2/20 0.34
▸ PLA2G2A P14555 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3689550 1.00 ATM (0.38) ATMCMA1MTNR1AMTNR1BGPR139
SCHEMBL3698824 0.94 CMA1 (0.38) ATMCMA1MTNR1AMTNR1BGPR139
SCHEMBL3698826 0.94 CMA1 (0.38) ATMCMA1MTNR1AMTNR1BGPR139
SCHEMBL3682606 0.94 CMA1 (0.43) ATMCMA1MTNR1AMTNR1BGPR139
SCHEMBL3684412 0.94 CMA1 (0.43) ATMCMA1MTNR1AMTNR1BGPR139
SCHEMBL3682608 0.94 CMA1 (0.43) ATMCMA1MTNR1AMTNR1BGPR139
SCHEMBL3687784 0.88 CMA1 (0.43) CMA1MTNR1AMTNR1BGPR139FPR1
SCHEMBL3687788 0.88 CMA1 (0.43) CMA1MTNR1AMTNR1BGPR139FPR1
SCHEMBL3694201 0.85 CMA1 (0.38) CMA1GPR139
SCHEMBL3689206 0.84 CMA1 (0.44) CMA1KDM4E

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-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 ATM 3060/4885CMA1 1/4885MTNR1A 258/4885

“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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