SCHEMBL4048826

SCHEMBL4048826

COc1ccc2c(c1)cc1n2CCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.62
HTR2C P28335 3/20 0.62
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 7/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.40
HTR6 P50406 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DRD2 P14416 1/20 0.39
DRD1 P21728 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
SCHEMBL4048831 0.87 HTR2A (0.62) HTR2AHTR2CKDM4EMEN1KMT2A
SCHEMBL26839172 0.83 HTR2A (0.61) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL5235419 0.83 HTR2C (0.48) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL26838992 0.82 HTR2A (0.77) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL5232893 0.80 HRH3 (0.46) HTR2AHTR2C
SCHEMBL4049250 0.78 HTR2A (0.59) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL13113738 0.78 NPC1 (0.46) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL17907920 0.77 HTR2A (0.51) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL970777 0.77 HTR2A (1.00) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL4049833 0.77 HTR2A (0.58) HTR2AHTR2CKDM4EALDH1A1HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009097515-A2 [A]-FUSED INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO disclosed
WO-2009097515-A2 [A]-FUSED INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
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 (3 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 HTR2A 14/4885HTR2C 16/4885KDM4E 3309/4885
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PIK3C2A HTR2A 780/4885HTR2C 826/4885KDM4E 1263/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 HTR2A 12/4885HTR2C 17/4885KDM4E 3070/4885

“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.