SCHEMBL4895464

SCHEMBL4895464

CN1CCC(N2CC(C)(C)c3cc(I)ccc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR1F P30939 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
QDPR P09417 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL4900075 0.80 HTR2C (0.47) CHRM2CHRM3HTR2CSMN1; SMN2DRD3
SCHEMBL428109 0.76 CHRM2 (0.40) CHRM2CHRM3HTR2AHTR2CHTR1A
SCHEMBL4898778 0.75 HTR6 (0.44) CHRM2CHRM3HTR2AHTR2CDRD3
SCHEMBL445072 0.75 HTR1D (0.36) CHRM2CHRM3HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL4902026 0.74 HTR6 (0.43) CHRM2CHRM3HTR2AHTR2CDRD3
SCHEMBL5626006 0.72 CHRM2 (0.36) CHRM2CHRM3HTR1AHTR1DHTR1B
SCHEMBL447289 0.71 ACHE (0.42) GAASMN1; SMN2
SCHEMBL17675356 0.68 RARB (0.44) GABRA1GABRB2SIGMAR1GAA
SCHEMBL25888839 0.68 PARP2 (0.45) CHRM2CHRM3HTR2AHTR2CCHRNA1
SCHEMBL25888838 0.65 PARP2 (0.45) HTR2AHTR2CCHRNA1CHRNB2CHRNB4

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
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 CHRM2 174/4885CHRM3 171/4885GABRA1 581/4885

“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.