SCHEMBL5363737

SCHEMBL5363737

COc1cc2c3c(c1)C(=O)C(=O)N3CCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.59
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PDE4A P27815 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE1C Q14123 1/20 0.45
PDE3A Q14432 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.39
NPC1 O15118 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
SCHEMBL10367642 0.81 CES1 (0.62) CES1ALDH1A1MAPTHTTMEN1
SCHEMBL9178459 0.78 CES1 (0.62) CES1ALDH1A1MAPTHTTMEN1
SCHEMBL10367966 0.78 CES1 (0.62) CES1ALDH1A1MAPTHTTMEN1
SCHEMBL9170783 0.78 CES1 (0.62) CES1ALDH1A1MAPTHTTMEN1
SCHEMBL8768338 0.74 CES1 (1.00) CES1ALDH1A1MAPTHTTMEN1
SCHEMBL9470716 0.74 CES1 (0.56) CES1ALDH1A1MAPTHTTMEN1
SCHEMBL9172070 0.74 CES1 (0.56) CES1ALDH1A1MAPTHTTMEN1
SCHEMBL749609 0.70 CES1 (0.90) CES1ALDH1A1MAPTHTTMEN1
SCHEMBL9470659 0.70 CES1 (0.51) CES1ALDH1A1MAPTHTTMEN1
SCHEMBL2429208 0.69 CES1 (0.88) CES1ALDH1A1MAPTHTTMEN1

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-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
EP-1377580-B1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2006-09-27 EP disclosed
US-20040102481-A1 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5-ht6 receptor FILLA SANDRA ANN (US) 2004-05-27 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 CES1 1777/4885ALDH1A1 850/4885MAPT 3887/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 CES1 2247/4885ALDH1A1 1150/4885MAPT 3743/4885

“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.