SCHEMBL366145

SCHEMBL366145

COc1ccc(Cn2cc3c(n2)N(CCO)CCc2sc(Nc4ncc(F)cn4)nc2-3)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM4 Q14833 4/20 0.33
MAPT P10636 3/20 0.32
TP53 P04637 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
AADAT Q8N5Z0 1/20 0.32
THRB P10828 1/20 0.31
ATM Q13315 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL366988 0.92 ACHE (0.34) ACHEGRM4
SCHEMBL16242725 0.91 CACNA2D1 (0.34) ACHEGRM4
SCHEMBL368225 0.90 ACHE (0.37) ACHEGRM4MAPTTP53SMN1; SMN2
SCHEMBL367809 0.90 ACHE (0.34) ACHEGRM4MAPTTP53SMN1; SMN2
SCHEMBL16242988 0.89 FGFR3 (0.37) ACHEGRM4FGFR1FGFR3KCNH2
SCHEMBL15302907 0.89 ACHE (0.37) ACHEGRM4AADAT
SCHEMBL15302887 0.89 ACHE (0.34) ACHEGRM4
SCHEMBL16242838 0.89 SMN1; SMN2 (0.35) ACHEKMT2ASMN1; SMN2
SCHEMBL368018 0.88 GRM4 (0.35) ACHEGRM4SMN1; SMN2KCNH2
SCHEMBL16242632 0.88 ACHE (0.33) ACHEGRM4

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 ACHE 839/4885MEN1 4017/4885KMT2A 1124/4885

“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.