SCHEMBL13989656

SCHEMBL13989656

CN1CCC(N2CCc3cc(S(=O)(=O)c4ccccc4)ccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.50
DRD3 P35462 3/20 0.50
HRH3 Q9Y5N1 1/20 0.50
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 1/20 0.43
HTR2A P28223 1/20 0.42
PNMT P11086 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.40

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
Hydrochloric Acid SCHEMBL4898845 0.99 HTR6 (0.49) HTR6DRD3HRH3NOS3NOS1
SCHEMBL13989713 0.95 HTR6 (0.47) HTR6DRD3HRH3NOS3NOS1
Hydrochloric Acid SCHEMBL4900792 0.94 HTR6 (0.46) HTR6DRD3HRH3NOS3NOS1
SCHEMBL13989711 0.94 HTR6 (0.47) HTR6DRD3HRH3NOS3NOS1
Hydrochloric Acid SCHEMBL4900192 0.93 NOS1 (0.48) HTR6DRD3HRH3NOS3NOS1
SCHEMBL13989731 0.89 HTR1A (0.50) HTR6DRD3HRH3NOS3NOS1
SCHEMBL13989729 0.89 DRD3 (0.55) HTR6DRD3HRH3
SCHEMBL4898750 0.88 CHRM2 (0.43) HTR6DRD3HRH3CHRM2CHRM1
SCHEMBL13989761 0.88 HTR6 (0.51) HTR6DRD3HRH3NOS3NOS1
SCHEMBL13989727 0.88 DRD3 (0.53) HTR6DRD3HRH3HTR2CHTR2B

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
US-20080318933-A1 5-Sulfonyl-1-Piperidinyl Substituted Indole Derivatives as 5-Ht6 Receptor Antagonists for the Treatment of Cns Disorders GLAXO GROUP LIMITED 2008-12-25 US disclosed
US-20080318933-A1 5-Sulfonyl-1-Piperidinyl Substituted Indole Derivatives as 5-Ht6 Receptor Antagonists for the Treatment of Cns Disorders GLAXO GROUP LIMITED 2008-12-25 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-20080318933-A1 5-Sulfonyl-1-Piperidinyl Substituted Indole Derivatives as 5-Ht6 Receptor Antagonists for the Treatment of Cns Disorders HTR6, HTR5A, TPH1 HTR6 1/4885DRD3 158/4885HRH3 257/4885

“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.