SCHEMBL13989727

SCHEMBL13989727

CCN1CCC(N2CCc3cc(S(=O)(=O)c4ccccc4)ccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.53
HRH3 Q9Y5N1 5/20 0.53
HTR6 P50406 12/20 0.48
DRD2 P14416 4/20 0.47
XIAP P98170 1/20 0.41
BIRC2 Q13490 1/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL4903398 0.99 DRD3 (0.53) DRD3HRH3HTR6DRD2XIAP
SCHEMBL13989729 0.91 DRD3 (0.55) DRD3HRH3HTR6DRD2XIAP
SCHEMBL13989783 0.90 DRD3 (0.46) DRD3HRH3HTR6DRD2HTR2C
Hydrochloric Acid SCHEMBL4890921 0.90 DRD3 (0.54) DRD3HRH3HTR6DRD2XIAP
SCHEMBL13989763 0.89 HTR6 (0.47) DRD3HRH3HTR6DRD2HTR2C
Hydrochloric Acid SCHEMBL4899584 0.89 DRD3 (0.45) DRD3HRH3HTR6DRD2HTR2C
SCHEMBL13989765 0.89 DRD3 (0.48) DRD3HRH3HTR6HTR2CHTR2B
Hydrochloric Acid SCHEMBL5221032 0.88 HTR6 (0.47) DRD3HRH3HTR6DRD2HTR2C
Hydrochloric Acid SCHEMBL4902043 0.88 DRD3 (0.47) DRD3HRH3HTR6HTR2CHTR2B
SCHEMBL13989656 0.88 HTR6 (0.50) DRD3HRH3HTR6HTR2CHTR2B

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 DRD3 158/4885HRH3 257/4885HTR6 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.