SCHEMBL5770873

SCHEMBL5770873

CN1CCC(c2cn(C3CCCCC3)c3ccc(OS(=O)(=O)c4ccccc4)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.48
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 1/20 0.40
ENPP3 O14638 3/20 0.38
ENPP1 P22413 3/20 0.38
ENPP2 Q13822 2/20 0.38

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
SCHEMBL5767861 0.99 HTR6 (0.49) HTR6KCNH2ALDH1A1ENPP3ENPP1
Oxalic Acid SCHEMBL5365193 0.96 HTR6 (0.46) HTR6KCNH2ALDH1A1ENPP3ENPP1
Oxalic Acid SCHEMBL5363766 0.95 HTR6 (0.47) HTR6KCNH2ALDH1A1ENPP3ENPP1
SCHEMBL5769307 0.86 HTR6 (0.61) HTR6ALDH1A1
SCHEMBL5371162 0.84 HTR6 (0.47) HTR6ALDH1A1
Hydrochloric Acid SCHEMBL5371158 0.83 HTR6 (0.46) HTR6ALDH1A1
SCHEMBL6646380 0.83 HTR6 (0.51) HTR6
SCHEMBL5366903 0.83 HTR6 (0.53) HTR6
SCHEMBL5767973 0.82 HTR6 (0.50) HTR6ALDH1A1
SCHEMBL5769224 0.82 HTR6 (0.50) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377580-B1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2006-09-27 EP claimed
US-20040102481-A1 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5-ht6 receptor FILLA SANDRA ANN (US) 2004-05-27 US claimed
EP-1377580-A2 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-07 EP claimed
WO-2002060871-A2 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-08-08 WO claimed
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR FILLA SANDRA A 2007-06-14 US disclosed
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR FILLA SANDRA A 2007-06-14 US disclosed
US-7230011-B2 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5ht6 receptor ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7230011-B2 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5ht6 receptor ELI LILLY AND COMPANY (US) 2007-06-12 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 (2 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-20040102481-A1 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5-ht6 receptor HTR6, HTR5A, TPH1 HTR6 1/4885KCNH2 1001/4885ALDH1A1 850/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 HTR6 1/4885KCNH2 900/4885ALDH1A1 1150/4885

“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.