SCHEMBL3694006

SCHEMBL3694006

CC(C)(C)OC(=O)CCc1cc(N)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ APP P05067 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.33
▸ MIF P14174 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL3630580 0.89 MTNR1A (0.42) MTNR1AMTNR1BNR1H2HDAC8
SCHEMBL8413349 0.84 PRKCI (0.44) APPNR1H2HPGDCYP2C19
SCHEMBL6986298 0.84 ALDH1A1 (0.39) —
SCHEMBL3703846 0.83 AAK1 (0.40) MTNR1AMTNR1B
SCHEMBL23465360 0.83 NR1H4 (0.38) MTNR1AMTNR1BAPPNR1H2HDAC8
Hydrochloric Acid SCHEMBL6989133 0.82 KMT2A (0.38) —
SCHEMBL28861694 0.81 GAA (0.35) MTNR1AMTNR1BAPPNR1H2HDAC8
SCHEMBL23465487 0.81 NR1H2 (0.42) APPNR1H2
SCHEMBL18041423 0.80 NQO2 (0.49) HPGD
SCHEMBL31156791 0.80 NQO2 (0.49) HPGD

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 MTNR1A 2043/4885MTNR1B 1900/4885APP 4451/4885

“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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