Sugi Predict

Sugi Predict / Compounds / SCHEMBL369326

SCHEMBL369326

SCHEMBL369326

C=CCN(C)c1nn(Cc2ccc(OC)cc2)cc1C(=O)N(C)OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 2/20 0.40
▸ CACNA1H O95180 2/20 0.40
▸ CACNA1I Q9P0X4 2/20 0.40
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KLKB1 P03952 8/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ AADAT Q8N5Z0 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NR1I3 Q14994 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL370519 0.89 CACNA1G (0.41) CACNA1GCACNA1HCACNA1IKMT2ATSHR
SCHEMBL369161 0.86 KMT2A (0.41) CACNA1GCACNA1HCACNA1IKMT2ATSHR
SCHEMBL370149 0.85 CACNA1G (0.34) CACNA1GCACNA1HCACNA1IKMT2ATSHR
SCHEMBL371003 0.84 KLKB1 (0.36) CACNA1GCACNA1HCACNA1IKMT2ATSHR
SCHEMBL371004 0.84 KLKB1 (0.35) CACNA1GCACNA1HCACNA1IKMT2ATSHR
SCHEMBL369366 0.83 CACNA1G (0.40) CACNA1GCACNA1HCACNA1IKMT2AL3MBTL1
SCHEMBL370510 0.82 FLT3 (0.39) CACNA1GCACNA1HCACNA1IKMT2AL3MBTL1
SCHEMBL369221 0.81 CACNA1G (0.41) CACNA1GCACNA1HCACNA1IKMT2AL3MBTL1
SCHEMBL368790 0.81 KLKB1 (0.47) KLKB1AADAT
SCHEMBL370679 0.80 L3MBTL1 (0.44) CACNA1GCACNA1HCACNA1IKMT2AL3MBTL1

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 CACNA1G 404/4885CACNA1H 447/4885CACNA1I 313/4885

“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.