SCHEMBL1178488

SCHEMBL1178488

CC(C)(C)OC(=O)CCc1cccc(NC(=O)C(c2ccc(CN3CCN(c4cccc(Cl)c4)C3=O)cc2)C2CCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.48
DRD2 P14416 9/20 0.39
DRD3 P35462 9/20 0.39
KCNH2 Q12809 8/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
ACKR3 P25106 2/20 0.38
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
ADRA1B P35368 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTR1E P28566 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR3 Q99500 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
SCHEMBL1178718 0.89 PTGES (0.60) PTGESDRD2DRD3KCNH2CCNA2
SCHEMBL1178253 0.88 PTGES (0.48) PTGESACKR3MEN1LMNAMAPT
SCHEMBL7601809 0.88 PTGES (0.53) PTGESDRD2DRD3KCNH2CCNA2
SCHEMBL1177977 0.87 PTGES (0.56) PTGES
SCHEMBL3698870 0.84 PTGES (0.44) PTGESDRD2DRD3KCNH2CCNA2
SCHEMBL1178322 0.83 PTGES (0.51) PTGESDRD2ACKR3MEN1LMNA
SCHEMBL12871533 0.82 DRD2 (0.48) DRD2DRD3KCNH2HTR1ACYP2D6
SCHEMBL1177899 0.78 CYP1A2 (0.50) PTGESACKR3CYP2D6LMNAMAPT
SCHEMBL1178382 0.77 PTGES (0.60) PTGESMEN1LMNAMAPTHTR1E
SCHEMBL1178015 0.77 PTGES (0.46) PTGESMEN1LMNAMAPTHTR1E

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 PTGES 224/4885DRD2 3439/4885DRD3 3568/4885

“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.