SCHEMBL370299

SCHEMBL370299

COc1ccc(Cn2cc(C(=O)N(C)OC)c(N)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.43
CACNA1G O43497 2/20 0.42
CACNA1H O95180 2/20 0.42
CACNA1I Q9P0X4 2/20 0.42
KLKB1 P03952 13/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL370679 0.87 L3MBTL1 (0.44) AADATCACNA1GCACNA1HCACNA1IKLKB1
SCHEMBL368611 0.86 CACNA1G (0.42) AADATCACNA1GCACNA1HCACNA1IKLKB1
SCHEMBL2537359 0.86 CACNA1G (0.42) AADATCACNA1GCACNA1HCACNA1IKLKB1
SCHEMBL6837484 0.85 CACNA1G (0.40) AADATCACNA1GCACNA1HCACNA1IKLKB1
SCHEMBL369607 0.85 KLKB1 (0.47) AADATCACNA1GCACNA1HCACNA1IKLKB1
SCHEMBL368790 0.85 KLKB1 (0.47) AADATKLKB1
SCHEMBL369221 0.85 CACNA1G (0.41) AADATCACNA1GCACNA1HCACNA1IKLKB1
SCHEMBL369521 0.84 CACNA1G (0.43) AADATCACNA1GCACNA1HCACNA1IKLKB1
SCHEMBL370025 0.83 CACNA1G (0.39) AADATCACNA1GCACNA1HCACNA1IKLKB1
SCHEMBL368607 0.83 CACNA1G (0.41) AADATCACNA1GCACNA1HCACNA1IKLKB1

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 494/4885CACNA1G 404/4885CACNA1H 447/4885

“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.