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Sugi Predict / Compounds / SCHEMBL371003

SCHEMBL371003

SCHEMBL371003

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 10/20 0.36
▸ KCNH2 Q12809 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CACNA1G O43497 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNA1I Q9P0X4 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ AADAT Q8N5Z0 1/20 0.32
▸ GAA P10253 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
SCHEMBL371004 0.84 KLKB1 (0.35) KLKB1SMN1; SMN2CACNA1GCACNA1HCACNA1I
SCHEMBL369326 0.84 CACNA1G (0.40) KLKB1KCNH2SMN1; SMN2CACNA1GCACNA1H
SCHEMBL369161 0.84 KMT2A (0.41) SMN1; SMN2CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL370149 0.81 CACNA1G (0.34) KLKB1SMN1; SMN2CACNA1GCACNA1HCACNA1I
SCHEMBL371167 0.78 HSP90AA1 (0.31) KLKB1CACNA1GCACNA1HCACNA1IAADAT
SCHEMBL369572 0.77 KLKB1 (0.40) KLKB1CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL369366 0.76 CACNA1G (0.40) KLKB1SMN1; SMN2CACNA1GCACNA1HCACNA1I
SCHEMBL369221 0.76 CACNA1G (0.41) KLKB1SMN1; SMN2CACNA1GCACNA1HCACNA1I
SCHEMBL370510 0.75 FLT3 (0.39) KLKB1CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL368790 0.74 KLKB1 (0.47) KLKB1AADAT

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 KLKB1 4056/4885KCNH2 905/4885SMN1; 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.