SCHEMBL5369725

SCHEMBL5369725

COc1ccc2c(c1)c(C1CCN(C)CC1)c1n2CCC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.48
HTR6 P50406 3/20 0.48
MTNR1B P49286 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL5370612 0.82 GAA (0.48)
SCHEMBL5373922 0.81 HTR6 (0.41) MTNR1AHTR6MAOB
Hydrochloric Acid SCHEMBL5373921 0.80 HTR6 (0.40) MTNR1AHTR6MAOB
SCHEMBL5651289 0.79 HTR6 (0.58) MTNR1AHTR6
Hydrochloric Acid SCHEMBL5651285 0.78 HTR6 (0.58) MTNR1AHTR6
SCHEMBL5375332 0.75 CYP1A2 (0.42)
SCHEMBL4048331 0.72 HTR6 (0.52) MTNR1AHTR6MTNR1B
SCHEMBL5369133 0.71 SLC6A4 (0.51) MTNR1AHTR6MTNR1BMAOAMAOB
SCHEMBL6645313 0.71 HTR6 (0.51) MTNR1AHTR6MTNR1BMAOAMAOB
SCHEMBL4047650 0.71 MTNR1A (0.51) MTNR1AMTNR1B

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 MTNR1A 55/4885HTR6 1/4885MTNR1B 51/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 MTNR1A 76/4885HTR6 1/4885MTNR1B 58/4885

“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.