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SCHEMBL370594

SCHEMBL370594

COc1ccc(Cn2cc3c(n2)N(CC2CCN(C(=O)O)C(C(C)(C)C)C2)CCCC3=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ACHE P22303 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ FKBP1A P62942 1/20 0.32
▸ BCHE P06276 1/20 0.32

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
SCHEMBL369937 0.87 AADAT (0.39) AADATFAAHACHESMN1; SMN2HRH3
SCHEMBL367340 0.82 AADAT (0.44) AADATTDP1POLBLMNA
SCHEMBL370595 0.82 BACE1 (0.47) AADATKMT2AALDH1A1
SCHEMBL15129782 0.78 AADAT (0.45) AADATPOLBLMNAKMT2AALDH1A1
SCHEMBL370407 0.77 ACHE (0.35) AADATACHESMN1; SMN2
SCHEMBL367029 0.76 SIGMAR1 (0.45) AADATLMNAKMT2ASMN1; SMN2
SCHEMBL16242858 0.75 SMN1; SMN2 (0.44) AADATPOLBLMNAKMT2AALDH1A1
SCHEMBL16242764 0.74 AADAT (0.45) AADATPOLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL366278 0.74 AADAT (0.43) AADATPOLBLMNAKMT2AALDH1A1
SCHEMBL366569 0.73 AADAT (0.43) AADATPOLBALDH1A1SMN1; SMN2

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 494/4885TDP1 3211/4885POLB 4799/4885

“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.