SCHEMBL367728

SCHEMBL367728

COc1ccc(Cn2cc3c(n2)NCC=CC3=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CMA1 P23946 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CACNA1G O43497 2/20 0.37
CACNA1H O95180 2/20 0.37
CACNA1I Q9P0X4 2/20 0.37
BLM P54132 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 1/20 0.36
CASP3 P42574 2/20 0.36

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
SCHEMBL366198 0.78 AADAT (0.42) AADATGSK3AGSK3BCMA1MEN1
SCHEMBL15303241 0.77 AADAT (0.48) AADATGSK3AGSK3BCMA1MEN1
SCHEMBL365091 0.76 AADAT (0.43) AADATGSK3AGSK3BCMA1MEN1
SCHEMBL25198730 0.74 AADAT (0.47) AADATGSK3AGSK3BCMA1MEN1
SCHEMBL366706 0.73 AADAT (0.44) AADATGSK3AGSK3BMEN1KMT2A
SCHEMBL365701 0.72 AADAT (0.46) AADATGSK3AGSK3BCMA1MEN1
SCHEMBL366028 0.71 AADAT (0.44) AADATGSK3AGSK3BCMA1MEN1
SCHEMBL366029 0.71 AADAT (0.44) AADATGSK3AGSK3BCMA1MEN1
SCHEMBL6837301 0.70 ALDH1A1 (0.48) AADATGSK3AGSK3BCMA1MEN1
SCHEMBL365659 0.70 ALDH1A1 (0.48) AADATGSK3AGSK3BCMA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765091-B2 Tetrahydropyrazolo [3,4-b] azepine derivatives and their use as allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2017-09-19 US disclosed
EP-2592932-B1 NOVEL TETRAHYDROPYRAZOLO[3,4-B]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2016-01-20 EP disclosed
US-20130267499-A1 NOVEL TETRAHYDROPYRAZOLO [3,4-b] AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-10-10 US disclosed
EP-2592932-A2 NOVEL TETRAHYDROPYRAZOLO[3,4-B]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2013-05-22 EP disclosed
WO-2012009001-A2 NOVEL TETRAHYDROPYRAZOLO[3,4-B]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 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-20130267499-A1 NOVEL TETRAHYDROPYRAZOLO [3,4-b] AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRIK4 AADAT 494/4885GSK3A 2549/4885GSK3B 2815/4885

“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.