Sugi Predict

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SCHEMBL367353

SCHEMBL367353

COc1ccc(Cn2cc3c(n2)N(Cc2ccccn2)CCCC3=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ AADAT Q8N5Z0 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ FPR1 P21462 2/20 0.37
▸ FPR2 P25090 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37

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
SCHEMBL367029 0.88 SIGMAR1 (0.45) SMN1; SMN2AADATCYP19A1KDM4EGAA
SCHEMBL366569 0.85 AADAT (0.43) SMN1; SMN2AADATALDH1A1KDM4EGAA
SCHEMBL16242764 0.81 AADAT (0.45) SMN1; SMN2AADATALDH1A1GAAMAPT
SCHEMBL366322 0.81 AADAT (0.42) SMN1; SMN2AADATGAAMAPT
SCHEMBL16242751 0.81 AADAT (0.42) SMN1; SMN2AADATALDH1A1GAAPOLB
SCHEMBL15129782 0.81 AADAT (0.45) SMN1; SMN2AADATALDH1A1GAAPOLB
SCHEMBL16242858 0.80 SMN1; SMN2 (0.44) SMN1; SMN2AADATALDH1A1KDM4EGAA
SCHEMBL367340 0.80 AADAT (0.44) AADATGAAPOLBMMP1MMP3
SCHEMBL367366 0.80 AADAT (0.47) SMN1; SMN2AADATALDH1A1GAAPOLB
SCHEMBL16243070 0.78 AADAT (0.41) SMN1; SMN2AADATALDH1A1GAAPOLB

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

“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.