SCHEMBL370570

SCHEMBL370570

COc1ccc(Cn2cc(C(=O)N(C)OC)c(NCc3ccccc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.45
CACNA1H O95180 2/20 0.45
CACNA1I Q9P0X4 2/20 0.45
KMT2A Q03164 2/20 0.45
CDC7 O00311 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
MCHR1 Q99705 1/20 0.43
ADORA2B P29275 1/20 0.42
PTGER4 P35408 1/20 0.42
VNN1 O95497 1/20 0.42
HIF1A Q16665 1/20 0.42
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
KLKB1 P03952 1/20 0.40
KLK1 P06870 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
SCHEMBL369521 0.85 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IKMT2AADORA3
SCHEMBL369572 0.82 KLKB1 (0.40) CACNA1GCACNA1HCACNA1IKMT2AADORA3
SCHEMBL370679 0.80 L3MBTL1 (0.44) CACNA1GCACNA1HCACNA1IKMT2ANPC1
SCHEMBL370299 0.79 AADAT (0.43) CACNA1GCACNA1HCACNA1IKMT2ANPC1
SCHEMBL368611 0.79 CACNA1G (0.42) CACNA1GCACNA1HCACNA1IKMT2ANPC1
SCHEMBL2537359 0.79 CACNA1G (0.42) CACNA1GCACNA1HCACNA1IKMT2ANPC1
SCHEMBL15130283 0.78 NPBWR1 (0.44) KMT2AMCHR1PTGER4VNN1HIF1A
SCHEMBL369221 0.78 CACNA1G (0.41) CACNA1GCACNA1HCACNA1IKMT2ANPC1
SCHEMBL368790 0.78 KLKB1 (0.47) KLKB1
SCHEMBL370600 0.76 KLKB1 (0.43) CACNA1GCACNA1HCACNA1IKMT2ANPC1

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.