SCHEMBL1179323

SCHEMBL1179323

O=C(O)c1ccc(CNC(=O)C(c2ccc(CN3N=C(c4ccc(Cl)cc4)OCC3=O)cc2)C2CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.39
PTGES O14684 3/20 0.38
MAOB P27338 2/20 0.38
C3AR1 Q16581 1/20 0.37
BDKRB2 P30411 1/20 0.37
MMP13 P45452 1/20 0.37
MAPT P10636 1/20 0.37
CNR2 P34972 1/20 0.37
LTA4H P09960 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1079989 0.94 BDKRB2 (0.41) MAOBBDKRB2
Bicarbonate SCHEMBL3704950 0.93 C3AR1 (0.41) PTGESMAOBC3AR1BDKRB2
SCHEMBL1177950 0.92 PDE4A (0.40) CNR1PTGESMAOBC3AR1MAPT
SCHEMBL1178681 0.91 MAOB (0.41) PTGESMAOBBDKRB2MMP13LMNA
Bicarbonate SCHEMBL1079990 0.88 BDKRB2 (0.43) C3AR1BDKRB2
SCHEMBL1178782 0.88 BDKRB2 (0.40) BDKRB2
SCHEMBL1081746 0.86 BDKRB2 (0.40) BDKRB2LMNA
SCHEMBL1177991 0.86 MAOB (0.40) PTGESMAOBC3AR1CNR2
SCHEMBL12872101 0.85 BDKRB2 (0.41) PTGESC3AR1BDKRB2MAPTLMNA
Bicarbonate SCHEMBL3695270 0.84 PTGES (0.41) PTGESMAOBBDKRB2

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
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 CNR1 736/4885PTGES 224/4885MAOB 147/4885

“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.