SCHEMBL5778881

SCHEMBL5778881

CC(C)(C)OC(=O)N1CCc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA1 Q09470 2/20 0.57
KCNAB1 Q14722 2/20 0.57
TGFBR1 P36897 8/20 0.56
HTR6 P50406 2/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
NR1H2 P55055 2/20 0.52
LIMK2 P53671 1/20 0.51
ESR2 Q92731 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL5440052 0.91 KCNA1 (0.56) KCNA1KCNAB1TGFBR1HTR6NPC1
SCHEMBL6365439 0.89 KCNA1 (0.60) KCNA1KCNAB1TGFBR1HTR6NPC1
SCHEMBL5434427 0.88 KCNA1 (0.55) KCNA1KCNAB1TGFBR1HTR6NPC1
SCHEMBL5783059 0.87 TGFBR1 (0.59) KCNA1KCNAB1TGFBR1NPC1RAB9A
SCHEMBL7017461 0.86 NPC1 (0.58) KCNA1KCNAB1NPC1RAB9ANR1H2
SCHEMBL6365191 0.84 DRD2 (0.59) KCNA1KCNAB1HTR6NPC1RAB9A
SCHEMBL6365396 0.84 KCNA1 (0.52) KCNA1KCNAB1TGFBR1HTR6NPC1
SCHEMBL5451614 0.84 KCNA1 (0.52) KCNA1KCNAB1TGFBR1HTR6NPC1
SCHEMBL8149885 0.83 NPC1 (0.58) KCNA1KCNAB1NPC1RAB9ANR1H2
SCHEMBL3153735 0.83 ESR2 (0.53) KCNA1KCNAB1TGFBR1HTR6NR1H2

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 2 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

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 KCNA1 588/4885KCNAB1 458/4885TGFBR1 4124/4885

“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.