Sugi Predict

Sugi Predict / Compounds / SCHEMBL369787

SCHEMBL369787

SCHEMBL369787

C=CCN(Cc1ccn(C)n1)c1nn(Cc2ccc(OC)cc2)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ CACNA1G O43497 3/20 0.36
▸ CACNA1H O95180 3/20 0.36
▸ CACNA1I Q9P0X4 3/20 0.36
▸ TSHR P16473 1/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ AADAT Q8N5Z0 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HPGDS O60760 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ KLKB1 P03952 2/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL369698 0.90 AGTR1 (0.37) KMT2ANPC1RAB9AMEN1
SCHEMBL370149 0.90 CACNA1G (0.34) KMT2ACACNA1GCACNA1HCACNA1ITSHR
SCHEMBL370155 0.80 KMT2A (0.44) KMT2ACACNA1GCACNA1HCACNA1ITSHR
SCHEMBL369161 0.77 KMT2A (0.41) KMT2ACACNA1GCACNA1HCACNA1ITSHR
SCHEMBL370519 0.75 CACNA1G (0.41) KMT2ACACNA1GCACNA1HCACNA1ITSHR
SCHEMBL369326 0.72 CACNA1G (0.40) KMT2ACACNA1GCACNA1HCACNA1ITSHR
SCHEMBL6837102 0.72 KMT2A (0.51) KMT2ACACNA1GCACNA1HCACNA1ICHRM1
SCHEMBL371167 0.71 HSP90AA1 (0.31) CACNA1GCACNA1HCACNA1IAADATKLKB1
SCHEMBL370237 0.70 KMT2A (0.47) KMT2ACACNA1GCACNA1HCACNA1ITSHR
SCHEMBL371004 0.70 KLKB1 (0.35) KMT2ACACNA1GCACNA1HCACNA1ITSHR

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 KMT2A 1124/4885CACNA1G 404/4885CACNA1H 447/4885

“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.