SCHEMBL5374013

SCHEMBL5374013

COc1cc2c(C3CCN(C)CC3)c[nH]c2cc1F

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.58
HTR1D P28221 7/20 0.54
HTR1B P28222 6/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
THPO P40225 1/20 0.54
HTR1F P30939 5/20 0.48
HTR1A P08908 6/20 0.47
MAPT P10636 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
Bromide SCHEMBL8818387 0.87 APP (0.54) APPHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL7867370 0.86 APP (0.65) APPHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL7859779 0.84 APP (0.51) APPHTR1ASLC6A4
SCHEMBL5370625 0.82 CYP1A2 (0.64) APPHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL12128907 0.81 APP (0.82) APPHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL12129631 0.81 APP (0.69) APPHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL12128922 0.81 APP (0.82) APPHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL21088561 0.80 HTR1D (0.53) APPHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL5365293 0.79 HTR6 (0.56) APPHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL24693259 0.79 KDM4E (0.62) APPHTR1DHTR1BCYP1A2CYP3A4

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 6 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
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 disclosed
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 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 APP 4007/4885HTR1D 13/4885HTR1B 5/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 APP 3886/4885HTR1D 18/4885HTR1B 7/4885

“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.