SCHEMBL4049847

SCHEMBL4049847

COc1ccc2c(c1)c(C=O)c1n2CCOC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
PTGER4 P35408 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
PRKDC P78527 3/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 1/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4048331 0.81 HTR6 (0.52) HTR6MTNR1AMTNR1BPTGER4ALDH1A1
SCHEMBL6642682 0.80 HTR6 (0.57) HTR6MTNR1AMTNR1BPTGER4ALDH1A1
SCHEMBL4053464 0.79 MTNR1A (0.55) HTR6MTNR1AMTNR1BPTGER4ALDH1A1
SCHEMBL6642384 0.79 HTR6 (0.56) HTR6MTNR1AMTNR1BPTGER4ALDH1A1
SCHEMBL16620163 0.78 LMNA (0.38) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4047891 0.77 NQO2 (0.42) MTNR1AMTNR1BPTGER4ALDH1A1KDM4E
SCHEMBL13743682 0.76 MTNR1A (0.43) HTR6MTNR1AMTNR1BPTGER4ALDH1A1
SCHEMBL4053149 0.75 MTNR1A (0.47) HTR6MTNR1AMTNR1BPTGER4ALDH1A1
SCHEMBL4056086 0.75 PIK3CA (0.67)
SCHEMBL4056083 0.75 PIK3CA (0.67)

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PIK3C2A HTR6 1015/4885MTNR1A 2107/4885MTNR1B 2048/4885

“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.