SCHEMBL4048831

SCHEMBL4048831

COc1ccc2cc3n(c2c1)CCC3

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.62
HTR2C P28335 3/20 0.62
ATM Q13315 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
CA2 P00918 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTR7 P34969 1/20 0.39
DRD2 P14416 4/20 0.39
DRD1 P21728 4/20 0.39
DRD5 P21918 4/20 0.39
DRD3 P35462 4/20 0.39
DRD4 P21917 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 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
SCHEMBL4048826 0.87 HTR2A (0.62) HTR2AHTR2CATMMEN1KMT2A
SCHEMBL26839170 0.83 HTR2A (0.61) HTR2AHTR2CCA2NPC1RAB9A
SCHEMBL26675916 0.82 HTR2A (0.77) HTR2AHTR2CKMT2AHTR1AHTR1D
SCHEMBL13113743 0.79 NPC1 (0.46) HTR2AHTR2CMEN1KMT2ASMN1; SMN2
SCHEMBL4706941 0.77 HTR2A (1.00) HTR2AHTR2CHTR1AHTR1DHTR1B
SCHEMBL13113738 0.73 NPC1 (0.46) HTR2AHTR2CMEN1KMT2ASMN1; SMN2
SCHEMBL9261555 0.72 HTR2A (0.49) HTR2AHTR2CMEN1KMT2AHTR1A
SCHEMBL3031783 0.72 ATM (0.51) ATMMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6715702 0.72 HTR2A (0.62) HTR2AHTR2CKMT2AHTR1AHTR1D
SCHEMBL761931 0.72 HTR2A (0.64) HTR2AHTR2CHTR1AKDM4E

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
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-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 16/4885ATM 3649/4885
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 826/4885ATM 732/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 HTR2A 12/4885HTR2C 17/4885ATM 3575/4885

“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.