SCHEMBL7606058

SCHEMBL7606058

O=C(O)C(c1ccc(Cn2c(=O)[nH]nc(-c3ccccc3)c2=O)cc1)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CHRM3 P20309 3/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 4/20 0.38
MME P08473 2/20 0.36
ACE P12821 2/20 0.36
CPA1 P15085 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
CFTR P13569 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
SCHEMBL12871494 0.87 FAAH (0.37) DRD2DRD4DRD3ROCK2ROCK1
Bicarbonate SCHEMBL3696603 0.87 BDKRB2 (0.43) DRD2DRD4DRD3ROCK2ROCK1
SCHEMBL1177962 0.85 BDKRB2 (0.41) ROCK2ROCK1
SCHEMBL3700952 0.81 BDKRB2 (0.37) DRD2DRD4DRD3AGTR1AGTR2
SCHEMBL3695457 0.77 LMNA (0.46) ROCK2ROCK1AGTR1AGTR2CFTR
SCHEMBL3694059 0.75 DRD2 (0.36) CHRM3DRD2DRD4DRD3ROCK2
SCHEMBL7961442 0.73 HDAC1 (0.52) ALOX5HDAC6
SCHEMBL516950 0.72 MEN1 (0.54)
SCHEMBL16457383 0.72 MEN1 (0.54)
SCHEMBL1178033 0.72 ALDH1A1 (0.63)

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 6 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
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
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 ALOX5 94/4885HDAC6 771/4885CHRM3 786/4885

“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.