SCHEMBL5369133

SCHEMBL5369133

COc1ccc2c(c1)c(C1=CCN(C)CC1)c1n2CCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.51
HTR6 P50406 3/20 0.47
DRD2 P14416 3/20 0.42
DRD1 P21728 2/20 0.42
DRD5 P21918 2/20 0.42
DRD3 P35462 2/20 0.42
HTR2C P28335 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
QDPR P09417 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
HRH1 P35367 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL6645313 0.72 HTR6 (0.51) HTR6HTR2CMTNR1AMTNR1BMAOA
SCHEMBL5369725 0.71 MTNR1A (0.48) HTR6MTNR1AMTNR1BMAOAMAOB
SCHEMBL5369432 0.71 HTR6 (0.70) SLC6A4HTR6DRD2DRD1DRD5
SCHEMBL4048331 0.70 HTR6 (0.52) HTR6HTR2CMTNR1AMTNR1BKDM4E
SCHEMBL5546728 0.69 QDPR (0.64) SLC6A4QDPRALDH1A1KMT2A
SCHEMBL298857 0.69 QDPR (0.54) SLC6A4DRD2QDPRALDH1A1KMT2A
SCHEMBL5536929 0.68 SLC6A4 (0.61) SLC6A4DRD2DRD1DRD5DRD3
Hydrochloric Acid SCHEMBL31556090 0.68 QDPR (0.62) SLC6A4QDPRALDH1A1KMT2A
SCHEMBL10901797 0.68 SLC6A4 (0.54) SLC6A4HTR6DRD2DRD1DRD5
SCHEMBL7704740 0.68 SLC6A4 (1.00) SLC6A4DRD2

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 SLC6A4 24/4885HTR6 1/4885DRD2 157/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 SLC6A4 23/4885HTR6 1/4885DRD2 160/4885

“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.