SCHEMBL370448

SCHEMBL370448

COc1ccc(Cn2cc(C(C)=O)c(Cl)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 3/20 0.46
AADAT Q8N5Z0 1/20 0.45
SNCA P37840 1/20 0.45
CACNA1G O43497 3/20 0.44
CACNA1H O95180 3/20 0.44
CACNA1I Q9P0X4 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HDAC1 Q13547 1/20 0.43
CMA1 P23946 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CYP19A1 P11511 1/20 0.40
CHRM1 P11229 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS2 P35354 1/20 0.40
ADORA3 P0DMS8 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
SCHEMBL15182553 0.85 KMT2A (0.46) L3MBTL1KMT2AAADATSNCACACNA1G
SCHEMBL2507978 0.84 MAPT (0.47) L3MBTL1KMT2AMEN1NPSR1
SCHEMBL369027 0.84 KLKB1 (0.51) KMT2ACMA1
SCHEMBL370679 0.83 L3MBTL1 (0.44) L3MBTL1KMT2AAADATSNCACACNA1G
SCHEMBL15182579 0.82 KMT2A (0.43) L3MBTL1KMT2AAADATSNCACACNA1G
SCHEMBL370457 0.82 KLKB1 (0.48) L3MBTL1KMT2AAADATSNCACACNA1G
SCHEMBL369329 0.80 KMT2A (0.42) L3MBTL1KMT2AAADATSNCACACNA1G
SCHEMBL370498 0.79 L3MBTL1 (0.43) L3MBTL1KMT2AAADATSNCACACNA1G
SCHEMBL25184413 0.78 AADAT (0.47) L3MBTL1KMT2AAADATSNCACACNA1G
SCHEMBL1047554 0.78 KMT2A (0.55) L3MBTL1KMT2AAADATCACNA1GCACNA1H

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 L3MBTL1 4663/4885KMT2A 1124/4885AADAT 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.