SCHEMBL13625700

SCHEMBL13625700

COc1cccc(CCc2c[nH]c(C(=O)O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.54
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
DHODH Q02127 1/20 0.48
CYP1A2 P05177 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CTBP2 P56545 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
AKR1C3 P42330 1/20 0.46
NR3C2 P08235 1/20 0.46

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
SCHEMBL13625704 0.84 MMP1 (0.50) DAOMTNR1AMTNR1BTAAR1
SCHEMBL1149680 0.81 DAO (0.61) DAOTAAR1CTBP2AKR1C3NR3C2
SCHEMBL1149656 0.80 DAO (0.73) DAOMEN1KMT2A
SCHEMBL27680470 0.78 DAO (0.57) DAOCYP1A2
SCHEMBL1149557 0.77 DHODH (0.48) DAOMTNR1AMTNR1BTAAR1DHODH
SCHEMBL1148853 0.76 DHODH (0.50) DAOMTNR1AMTNR1BTAAR1DHODH
SCHEMBL30080050 0.76 TAAR1 (0.77) DAOTAAR1CHRM2CHRM1CHRM3
SCHEMBL723511 0.76 TAAR1 (0.77) DAOTAAR1CHRM2CHRM1CHRM3
SCHEMBL17978208 0.75 APEX1 (0.56) MTNR1AMTNR1BTAAR1DHODHCYP1A2
SCHEMBL4060273 0.75 TAAR1 (0.69) TAAR1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2009-07-02 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 (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-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR DAO 2/4885MTNR1A 530/4885MTNR1B 1333/4885

“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.