SCHEMBL1081920

SCHEMBL1081920

O=C(O)[C@H](c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAOB P27338 2/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM3 P20309 3/20 0.36
KMT2A Q03164 1/20 0.36
C3AR1 Q16581 1/20 0.35

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
SCHEMBL517093 1.00 ALOX5 (0.39) ALOX5HDAC6MAOBCYP2D6CHRM3
SCHEMBL1079340 0.94 MAOB (0.37) MAOBCYP2D6CHRM3KMT2AC3AR1
SCHEMBL1177991 0.92 MAOB (0.40) ALOX5HDAC6MAOBKMT2AC3AR1
SCHEMBL1177731 0.91 C3AR1 (0.37) ALOX5HDAC6MAOBKMT2AC3AR1
SCHEMBL3705337 0.91 MAOB (0.43) MAOBKMT2A
Bicarbonate SCHEMBL3693977 0.89 C3AR1 (0.45) KMT2AC3AR1
SCHEMBL3696998 0.89 CYP2D6 (0.41) ALOX5HDAC6MAOBCYP2D6CHRM3
SCHEMBL12871474 0.88 KMT2A (0.35) MAOBCYP2D6CHRM3KMT2A
SCHEMBL517046 0.87 CYP3A4 (0.36) MAOBCYP2D6CHRM3KMT2A
Bicarbonate SCHEMBL1079990 0.87 BDKRB2 (0.43) CYP2D6KMT2AC3AR1

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-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
EP-2268625-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-01-05 EP 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 771/4885MAOB 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.