SCHEMBL5777740

SCHEMBL5777740

Oc1ccc2c(c1)C=CC=CN2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ACHE P22303 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL1247868 0.84 PTPRC (0.32) KDM4EALDH1A1HPGDACHECA2
SCHEMBL10382143 0.76 TGM2 (0.32) CA12CA2CA9
SCHEMBL3914969 0.76 KDM4E (0.42) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL1007936 0.74 LCK (0.37) KDM4EALDH1A1
Phenol SCHEMBL4639675 0.73 CA12 (0.41) CA12CA1CA2CA9
SCHEMBL4671199 0.71 CA1 (0.49) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL34259 0.70 GAA (0.48)
SCHEMBL10976920 0.69 XDH (0.44) KDM4EALDH1A1HPGD
SCHEMBL2591105 0.69 CA2 (0.42) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL8654087 0.68 GAA (0.46)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487801-B1 7-ARYLSULFONAMIDO-2,3,4,5-TETRAHYDRO-1H-BENZO¬D|AZEPINE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2006-04-19 EP disclosed
US-20050090485-A1 7-Arylsulfonamido-2,3,4,5-tetrahydro-1h-benzo'diazepine derivatives with 5ht6 receptor affinity for the reatment of cns disorders GLAXO GROUP LIMITED (GB) 2005-04-28 US disclosed
EP-1487801-A1 7-ARYLSULFONAMIDO-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003068751-A1 7-ARYLSULFONAMIDO-2,3,4,5-TETRAHYDRO-1H-BENZO'DIAZEPINE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY FOR THE REATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
EP-0331130-B1 CARBAMIC ACID ESTER OF SUBSTITUTED 7-HYDROXY-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES NOVO NORDISK A/S (DK) 1993-09-29 EP disclosed
US-5017571-A Prodrugs, mental disorders NOVO NORDISK A/S (DK) 1991-05-21 US disclosed
EP-0331130-A1 Carbamic acid ester of substituted 7-hydroxy-2,3,4,5-tetrahydro-1H-3-benzazepines NOVO NORDISK A/S (DK) 1989-09-06 EP 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-20050090485-A1 7-Arylsulfonamido-2,3,4,5-tetrahydro-1h-benzo'diazepine derivatives with 5ht6 receptor affinity for the reatment of cns disorders HTR6, HTR7, HTR2A DRD2 68/4885DRD4 124/4885KDM4E 2842/4885

“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.