SCHEMBL1149593

SCHEMBL1149593

CCOC(=O)c1cc(CCCC(C)C)[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.50
HCAR3 P49019 2/20 0.50
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL1149548 0.92 HCAR2 (0.48) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL6366232 0.86 HCAR2 (0.68) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL9367631 0.85 HCAR2 (0.68) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL5724811 0.85 HCAR2 (0.54) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL11400467 0.83 HCAR2 (0.69) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL11365652 0.83 HCAR2 (0.69) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL11231576 0.83 HCAR2 (0.69) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL11241327 0.83 HCAR2 (0.69) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL11220652 0.83 HCAR2 (0.69) HCAR2HCAR3KMT2ANPSR1L3MBTL1
SCHEMBL11409554 0.83 HCAR2 (0.69) HCAR2HCAR3KMT2ANPSR1L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS SUNOVION PHARMACEUTICALS INC. (US) 2011-04-21 US disclosed
US-7893098-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2011-02-22 US disclosed
US-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2010-01-21 US disclosed
US-7615572-B2 4,5-substituted pyrazole-3-carboxylic acids/esters/salts; D-amino acid oxidase (DAAO) inhibitors; increase D-Serine level; reduce level of toxic products of D-Serine oxidation; activate N-methyl-D-aspartate NMDA-glutamate receptors; neuropathic agent, schizophrenia, Alzheimer's, anaxia SEPRACOR INC. (US) 2009-11-10 US disclosed
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2009-07-02 US disclosed
US-7488747-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2009-02-10 US disclosed
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2005-06-30 US 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 (4 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-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS DDO, DAO, SRR HCAR2 1744/4885HCAR3 692/4885KMT2A 1883/4885
US-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR HCAR2 1744/4885HCAR3 692/4885KMT2A 1883/4885
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors DDO, DAO, SRR HCAR2 1744/4885HCAR3 692/4885KMT2A 1883/4885
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR HCAR2 1744/4885HCAR3 692/4885KMT2A 1883/4885

“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.