SCHEMBL369937

SCHEMBL369937

COc1ccc(Cn2cc3c(n2)N(CC2CCN(C(=O)O)C(C(C)(C)C)C2)CCC(Br)C3=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.39
FAAH O00519 2/20 0.36
ACHE P22303 4/20 0.34
SIGMAR1 Q99720 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
MCHR1 Q99705 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCHE P06276 1/20 0.32
PDE5A O76074 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL370594 0.87 AADAT (0.39) AADATFAAHACHEHRH3SMN1; SMN2
SCHEMBL369936 0.82 BACE1 (0.46) AADAT
SCHEMBL15303551 0.76 AADAT (0.43) AADATHRH3
SCHEMBL370407 0.75 ACHE (0.35) AADATACHESMN1; SMN2
SCHEMBL366319 0.74 AADAT (0.47) AADATSIGMAR1
SCHEMBL370595 0.69 BACE1 (0.47) AADAT
SCHEMBL365853 0.68 AADAT (0.45) AADATSMN1; SMN2BCHEPDE5APDE4A
SCHEMBL6837143 0.68 AADAT (0.45) AADATSIGMAR1SMN1; SMN2BCHEPDE5A
SCHEMBL367340 0.68 AADAT (0.44) AADATPDE5APDE4APDE4BPDE4C
SCHEMBL365862 0.65 AADAT (0.42) AADATSMN1; SMN2PDE5APDE4APDE4B

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 494/4885FAAH 675/4885ACHE 839/4885

“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.