SCHEMBL367029

SCHEMBL367029

COc1ccc(Cn2cc3c(n2)N(Cc2ccccc2)CCCC3=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
AADAT Q8N5Z0 1/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CLPP Q16740 1/20 0.42
CYP19A1 P11511 1/20 0.41
CACNA1G O43497 2/20 0.41
CACNA1H O95180 2/20 0.41
CACNA1I Q9P0X4 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL366569 0.91 AADAT (0.43) AADATGAASMN1; SMN2KDM4E
SCHEMBL367353 0.88 SMN1; SMN2 (0.42) L3MBTL1AADATGAAKMT2AMEN1
SCHEMBL15129782 0.88 AADAT (0.45) AADATGAAKMT2AMEN1SMN1; SMN2
SCHEMBL16242751 0.85 AADAT (0.42) AADATGAASMN1; SMN2
SCHEMBL16242764 0.85 AADAT (0.45) AADATGAAKMT2AMEN1SMN1; SMN2
SCHEMBL366322 0.85 AADAT (0.42) AADATGAASMN1; SMN2MAPT
SCHEMBL16242858 0.85 SMN1; SMN2 (0.44) AADATGAAKMT2AMEN1HTT
SCHEMBL367340 0.85 AADAT (0.44) AADATGAALMNA
SCHEMBL367366 0.84 AADAT (0.47) AADATGAAKMT2AMEN1HTT
SCHEMBL16243070 0.83 AADAT (0.41) AADATGAASMN1; SMN2

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 SIGMAR1 325/4885L3MBTL1 4663/4885AADAT 494/4885

“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.