SCHEMBL4055137

SCHEMBL4055137

COc1ccc2c(c1)cc1n2CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.56
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ALDH1A1 P00352 1/20 0.46
SIGMAR1 Q99720 4/20 0.45
STS P08842 2/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR2 Q92731 1/20 0.41
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DYRK1A Q13627 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 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
SCHEMBL14745358 0.85 NR1H2 (0.51) NR1H2SIGMAR1ESR2
SCHEMBL23726934 0.85 NR1H2 (0.51) NR1H2HTR2AHTR2CSIGMAR1STS
SCHEMBL615033 0.83 SIGMAR1 (0.63) NR1H2SIGMAR1
SCHEMBL14805405 0.83 NR1H2 (0.49) NR1H2SIGMAR1ESR2
SCHEMBL14745406 0.79 PDE4D (0.49) NR1H2ALDH1A1SIGMAR1MAPTMEN1
SCHEMBL14745515 0.79 PDE4A (0.39) NR1H2STSMAPTKDM4EMEN1
SCHEMBL16140217 0.78 NR1H2 (0.55) NR1H2ALDH1A1SIGMAR1MAPTESR2
SCHEMBL7169780 0.78 NR1H2 (0.51) NR1H2ALDH1A1SIGMAR1MAPTESR2
SCHEMBL16140212 0.78 NR1H2 (0.51) NR1H2ALDH1A1SIGMAR1MAPTESR2
SCHEMBL30432932 0.78 NR1H2 (0.44) NR1H2ALDH1A1SIGMAR1MAPTESR2

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 2 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

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 NR1H2 4082/4885HTR2A 780/4885HTR2C 826/4885

“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.