SCHEMBL370519

SCHEMBL370519

C=CCN(C)c1nn(Cc2ccc(OC)cc2)cc1C(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.41
CACNA1H O95180 3/20 0.41
CACNA1I Q9P0X4 3/20 0.41
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AADAT Q8N5Z0 1/20 0.38
BCL2A1 Q16548 3/20 0.38
KLKB1 P03952 5/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
HDAC1 Q13547 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 1/20 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
SCHEMBL369326 0.89 CACNA1G (0.40) CACNA1GCACNA1HCACNA1IKMT2AALDH1A1
SCHEMBL370155 0.84 KMT2A (0.44) CACNA1GCACNA1HCACNA1IKMT2ASMN1; SMN2
SCHEMBL370874 0.78 FLT3 (0.42) CACNA1GCACNA1HCACNA1IKMT2AALDH1A1
SCHEMBL370630 0.77 PKM (0.41) CACNA1GCACNA1HCACNA1IKMT2AALDH1A1
SCHEMBL369528 0.76 KMT2A (0.43) CACNA1GCACNA1HCACNA1IKMT2AAADAT
SCHEMBL6837432 0.76 KMT2A (0.41) CACNA1GCACNA1HCACNA1IKMT2AALDH1A1
SCHEMBL369787 0.75 KMT2A (0.39) CACNA1GCACNA1HCACNA1IKMT2ASMN1; SMN2
SCHEMBL369161 0.75 KMT2A (0.41) CACNA1GCACNA1HCACNA1IKMT2AALDH1A1
SCHEMBL370205 0.75 KMT2A (0.40) CACNA1GCACNA1HCACNA1IKMT2AALDH1A1
SCHEMBL370149 0.74 CACNA1G (0.34) CACNA1GCACNA1HCACNA1IKMT2AALDH1A1

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 CACNA1G 404/4885CACNA1H 447/4885CACNA1I 313/4885

“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.