Sugi Predict

Sugi Predict / Compounds / SCHEMBL365918

SCHEMBL365918

SCHEMBL365918

COc1ccc(Cn2cc3c(n2)N(C)CCc2sc(Nc4nccc(C)n4)nc2-3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.43
▸ GRM8 O00222 1/20 0.37
▸ ACHE P22303 5/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ CCNK O75909 1/20 0.32
▸ CDK12 Q9NYV4 1/20 0.32
▸ AADAT Q8N5Z0 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ CACNA2D1 P54289 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
SCHEMBL15303100 0.91 GRM4 (0.42) GRM4GRM8ACHESMN1; SMN2NPC1
SCHEMBL367983 0.88 GRM4 (0.49) GRM4GRM8ACHESMN1; SMN2NPC1
SCHEMBL368225 0.86 ACHE (0.37) GRM4ACHESMN1; SMN2NPC1RAB9A
SCHEMBL370071 0.85 GRM4 (0.44) GRM4GRM8SMN1; SMN2NPC1PKM
SCHEMBL15260978 0.84 GRM4 (0.45) GRM4GRM8ACHESMN1; SMN2NPC1
SCHEMBL369301 0.83 GRM4 (0.39) GRM4GRM8ACHESMN1; SMN2NPC1
SCHEMBL370384 0.83 GRM4 (0.43) GRM4GRM8ACHESMN1; SMN2NPC1
SCHEMBL368910 0.83 GRM4 (0.42) GRM4GRM8ACHESMN1; SMN2NPC1
SCHEMBL369801 0.82 GRM4 (0.40) GRM4GRM8ACHESMN1; SMN2NPC1
SCHEMBL369405 0.82 GRM4 (0.40) GRM4GRM8ACHESMN1; SMN2NPC1

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 GRM4 1/4885GRM8 22/4885ACHE 839/4885

“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.