SCHEMBL1149500

SCHEMBL1149500

CCOC(=O)c1cc(CCCC2CCCC2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
BCHE P06276 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 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
SCHEMBL2660838 0.84 GABRA1 (0.41) DAOGABRPGABRDGABRA1GABRB1
SCHEMBL1149201 0.81 DAO (0.49) DAOTDP1
SCHEMBL14930356 0.80 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9151658 0.79 PPARA (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20141471 0.78 GABRA1 (0.42) DAOGABRPGABRDGABRA1GABRB1
SCHEMBL14916685 0.78 GABRP (0.42) DAOGABRPGABRDGABRA1GABRB1
SCHEMBL1149233 0.78 BAZ2B (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18250006 0.76 GABRP (0.41) DAOGABRPGABRDGABRA1GABRB1
SCHEMBL1149670 0.76 GABRA1 (0.50) DAOGABRPGABRDGABRA1GABRB1
SCHEMBL14791060 0.76 GABRA1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2

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 10 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-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-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-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 DAO 2/4885GABRP 918/4885GABRD 334/4885
US-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR DAO 2/4885GABRP 918/4885GABRD 334/4885
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors DDO, DAO, SRR DAO 2/4885GABRP 918/4885GABRD 334/4885
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR DAO 2/4885GABRP 918/4885GABRD 334/4885

“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.