SCHEMBL365701

SCHEMBL365701

COc1ccc(Cn2cc3c(n2)C=CCCC3=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.46
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CMA1 P23946 1/20 0.41
CYP19A1 P11511 2/20 0.40
GAA P10253 2/20 0.40
HDAC1 Q13547 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TXNRD1 Q16881 1/20 0.38
CASP3 P42574 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
APAF1 O14727 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL366028 0.93 AADAT (0.44) AADATGSK3AGSK3BCMA1CYP19A1
SCHEMBL366029 0.93 AADAT (0.44) AADATGSK3AGSK3BCMA1CYP19A1
SCHEMBL6837301 0.79 ALDH1A1 (0.48) AADATGSK3AGSK3BCMA1GAA
SCHEMBL365659 0.79 ALDH1A1 (0.48) AADATGSK3AGSK3BCMA1GAA
SCHEMBL366655 0.76 AADAT (0.46) AADATGSK3AGSK3BCMA1GAA
SCHEMBL15182504 0.76 AADAT (0.46) AADATGSK3AGSK3BCMA1GAA
SCHEMBL367366 0.74 AADAT (0.47) AADATGSK3AGSK3BCMA1GAA
SCHEMBL366615 0.74 AADAT (0.42) AADATGSK3AGSK3BCMA1GAA
SCHEMBL366198 0.74 AADAT (0.42) AADATGSK3AGSK3BCMA1GAA
SCHEMBL15303241 0.73 AADAT (0.48) AADATGSK3AGSK3BCMA1CYP19A1

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
CN-117865988-A Tetrafused ring compound, preparation method and application thereof 厦门宝太生物科技股份有限公司 2024-04-12 CN disclosed
US-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
EP-2593277-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2013-05-22 EP disclosed
WO-2012006760-A1 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2012009000-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 WO disclosed
WO-2012008999-A2 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. GRM3, GRM6, GRM1 AADAT 3254/4885GSK3A 4219/4885GSK3B 3949/4885

“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.