Sugi Predict

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SCHEMBL366278

SCHEMBL366278

COc1ccc(Cn2cc3c(n2)N(CC(=O)N(C)C)CCCC3=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ CACNA1G O43497 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CACNA1I Q9P0X4 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL15129782 0.89 AADAT (0.45) AADATALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL16242858 0.88 SMN1; SMN2 (0.44) AADATALDH1A1SMN1; SMN2POLBOPRM1
SCHEMBL16242764 0.83 AADAT (0.45) AADATALDH1A1SMN1; SMN2POLBOPRM1
SCHEMBL367029 0.83 SIGMAR1 (0.45) AADATSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL366569 0.82 AADAT (0.43) AADATALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL366322 0.81 AADAT (0.42) AADATSMN1; SMN2OPRM1OPRL1HRH3
SCHEMBL16242751 0.81 AADAT (0.42) AADATALDH1A1SMN1; SMN2POLBGAA
SCHEMBL367340 0.80 AADAT (0.44) AADATPOLBOPRM1OPRL1GAA
SCHEMBL367366 0.80 AADAT (0.47) AADATALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL16243070 0.79 AADAT (0.41) AADATALDH1A1SMN1; SMN2POLBHRH3

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 494/4885ALDH1A1 3774/4885SMN1; SMN2 1922/4885

“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.