SCHEMBL6213331

SCHEMBL6213331

NC1CCN(CC(O)Cc2coc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 3/20 0.40
SLC6A4 P31645 1/20 0.40
PSMB8 P28062 9/20 0.39
PSMB5 P28074 8/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
SLC18A3 Q16572 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39

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
SCHEMBL6217017 0.85 SIGMAR1 (0.41) HTR1ASIGMAR1DRD2SLC6A4PSMB8
SCHEMBL6212612 0.83 DRD2 (0.41) MEN1KMT2AHTR1ASIGMAR1DRD2
SCHEMBL6214069 0.81 DRD2 (0.42) MEN1KMT2AHTR1ASIGMAR1DRD2
SCHEMBL6215084 0.80 SIGMAR1 (0.55) HTR1ASIGMAR1DRD2SLC6A4DRD4
SCHEMBL5564087 0.78 DRD2 (0.50) HTR1ASIGMAR1DRD2SLC6A4DRD4
SCHEMBL7821912 0.77 KCNA3 (0.46) DRD2DRD3
SCHEMBL5569217 0.76 SLC6A4 (0.48) HTR1ASIGMAR1DRD2SLC6A4DRD3
SCHEMBL6214039 0.76 HTR7 (0.48) HTR1ADRD2DRD3
SCHEMBL6216772 0.76 PSMB8 (0.39) HTR1ASIGMAR1DRD2SLC6A4PSMB8
SCHEMBL22928809 0.74 GRIN2D (0.63) DRD2SLC6A4DRD4DRD3SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1122254-B1 4-Sulfonamide piperidine derivatives, method for their preparation and phamaceutical compositions containing them SERVIER LAB (FR) 2005-04-27 EP disclosed
US-6323217-B2 CARDIOVASCULAR DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-27 US disclosed
US-20010034352-A1 Piperidine-4 sulphonamide compounds LES LABORATOIRES SERVIER (FR) 2001-10-25 US disclosed
EP-1122254-A2 4-Sulfonamide piperidine derivatives, method for their preparation and phamaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-08-08 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-20010034352-A1 Piperidine-4 sulphonamide compounds KDR, GLS, FLT1 MEN1 4875/4885KMT2A 2683/4885HTR1A 94/4885

“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.