SCHEMBL4891074

SCHEMBL4891074

O=S(=O)(c1ccccc1)c1ccc2c(c1)CCN2C1CCCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.50
HTR2B P41595 4/20 0.50
HTR6 P50406 11/20 0.47
PNMT P11086 1/20 0.45
DRD3 P35462 3/20 0.43
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR1B P28222 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR2A P28223 1/20 0.41

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 SCHEMBL4901421 0.99 HTR2C (0.49) HTR2CHTR2BHTR6PNMTDRD3
SCHEMBL4900681 0.95 HTR2C (0.54) HTR2CHTR2BHTR6PNMTDRD3
Hydrochloric Acid SCHEMBL4891108 0.94 HTR2C (0.53) HTR2CHTR2BHTR6PNMTDRD3
SCHEMBL4901338 0.89 HTR2C (0.49) HTR2CHTR2BHTR6PNMTDRD3
Hydrochloric Acid SCHEMBL4900834 0.88 HTR2C (0.48) HTR2CHTR2BHTR6PNMTDRD3
SCHEMBL13989681 0.85 HTR2C (0.58) HTR2CHTR2BHTR6NOS1NOS2
SCHEMBL4903952 0.85 HTR2C (0.46) HTR2CHTR2BHTR6NOS1NOS2
SCHEMBL4903866 0.85 HTR2C (0.55) HTR2CHTR2BHTR6NOS1NOS2
SCHEMBL13989704 0.84 HTR6 (0.45) HTR2CHTR2BHTR6NOS1NOS2
SCHEMBL13989700 0.84 HTR2C (0.55) HTR2CHTR2BHTR6NOS1NOS2

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 6 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
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
CN-101072768-A 5-sulfonyl-1-piperidinyl substituted indole derivatives as 5-ht6 receptor antagonists for the treatment of CNS disorders GLAXO GROUP LTD (GB) 2007-11-14 CN disclosed
EP-1814873-A2 5-SULFONYL-1-PIPERIDINYL SUBSTITUTED INDOLE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2007-08-08 EP disclosed
WO-2006038006-A2 5-SULFONYL-1-PIPERIDINYL SUBSTITUTED INDOLE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-04-13 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-20080318933-A1 5-Sulfonyl-1-Piperidinyl Substituted Indole Derivatives as 5-Ht6 Receptor Antagonists for the Treatment of Cns Disorders HTR6, HTR5A, TPH1 HTR2C 15/4885HTR2B 17/4885HTR6 1/4885

“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.