Sugi Predict

Sugi Predict / Compounds / SCHEMBL367340

SCHEMBL367340

SCHEMBL367340

COc1ccc(Cn2cc3c(n2)N(CC2CCCCC2)CCCC3=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ OPRL1 P41146 5/20 0.42
▸ NPBWR1 P48145 1/20 0.40
▸ OPRM1 P35372 4/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ GRM2 Q14416 1/20 0.38

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
SCHEMBL370595 0.86 BACE1 (0.47) AADATBACE1
SCHEMBL367029 0.85 SIGMAR1 (0.45) AADATLMNAGAA
SCHEMBL366569 0.84 AADAT (0.43) AADATPOLBGAAPDE5A
SCHEMBL366322 0.83 AADAT (0.42) AADATOPRL1OPRM1GAA
SCHEMBL15129782 0.83 AADAT (0.45) AADATNPC1RAB9APOLBLMNA
SCHEMBL16242751 0.83 AADAT (0.42) AADATPOLBGAA
SCHEMBL16242764 0.83 AADAT (0.45) AADATPOLBOPRL1OPRM1GAA
SCHEMBL370594 0.82 AADAT (0.39) AADATTDP1POLBLMNA
SCHEMBL16242858 0.82 SMN1; SMN2 (0.44) AADATPOLBOPRL1OPRM1LMNA
SCHEMBL367366 0.82 AADAT (0.47) AADATPOLBGAAPDE5APDE4A

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 AADAT 494/4885TDP1 3211/4885NPC1 2116/4885

“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.