SCHEMBL13711071

SCHEMBL13711071

CN(C)CCOc1cccc2c1CCN2S(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 0.66
▸ DRD3 P35462 6/20 0.53
▸ DRD2 P14416 5/20 0.53
▸ HRH3 Q9Y5N1 4/20 0.53
▸ BCHE P06276 1/20 0.51
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTR1B P28222 1/20 0.41
▸ HTR7 P34969 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
SCHEMBL14415236 0.81 HTR6 (0.64) HTR6DRD3DRD2HRH3BCHE
SCHEMBL5960063 0.80 HTR6 (0.62) HTR6DRD3DRD2HRH3CYP3A4
SCHEMBL14415499 0.79 HTR6 (0.62) HTR6DRD3DRD2HRH3BCHE
SCHEMBL23448761 0.75 HTR1B (0.43) HTR6DRD2HRH3HTR1BHTR7
SCHEMBL14415301 0.74 HTR6 (0.81) HTR6BCHE
SCHEMBL23448896 0.72 NPC1 (0.55) HTR6DRD2
SCHEMBL5960057 0.71 PDE4A (0.52) HTR6DRD3DRD2HRH3
SCHEMBL31013904 0.70 NOTUM (0.46) HTR6BCHE
SCHEMBL3320088 0.70 HTR6 (0.83) HTR6DRD3DRD2BCHEHTR1B
SCHEMBL5243831 0.70 HTR6 (0.56) HTR6DRD3DRD2BCHECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239863-A1 1-ARYL-OR 1- ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-09-24 — — 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-20090239863-A1 1-ARYL-OR 1- ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR1B, HTR1A HTR6 1/4885DRD3 345/4885DRD2 227/4885

“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.

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