SCHEMBL5363680

SCHEMBL5363680

CN1C=CC(c2c[nH]c3ccc(O)cc23)=CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
THPO P40225 1/20 0.43
SLC6A4 P31645 4/20 0.40
HTR1A P08908 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
HTR7 P34969 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
TSHR P16473 1/20 0.40
DRD1 P21728 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1E P28566 1/20 0.40
HTR1F P30939 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL5435851 0.73 HTR2C (0.56) CYP1A2CYP3A4CYP2D6CYP2C9SLC6A4
SCHEMBL5367487 0.71 SLC6A4 (0.76) SLC6A4HTR1AHTR6
SCHEMBL13302269 0.67 DYRK1A (0.55) CYP1A2CYP3A4CYP2D6CYP2C9HTR1A
SCHEMBL5436142 0.64 GPR84 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9SLC6A4
SCHEMBL6625901 0.64 HTR2C (0.41) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL3836149 0.63 HTR6 (0.67) CYP1A2CYP3A4CYP2D6CYP2C9HTR2A
SCHEMBL18052934 0.63 HTR2C (0.56) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL664847 0.63 HTR2C (0.53) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL22426050 0.62 HTR2C (0.55) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL30686491 0.62 HTR2C (0.56) CYP1A2CYP3A4CYP2D6CYP2C9THPO

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
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
CN-1275967-C As 5-HT6Indol-5-yl benzenesulfonates as receptor antagonists LILLY CO ELI (US) 2006-09-20 CN 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
CN-1489591-A As 5-HT6Indol-5-yl benzenesulfonates as receptor antagonists 2004-04-14 CN 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 CYP1A2 973/4885CYP3A4 963/4885CYP2D6 89/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 CYP1A2 996/4885CYP3A4 955/4885CYP2D6 88/4885

“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.