SCHEMBL4053149

SCHEMBL4053149

COc1ccc2c(c1)c(C=O)c1n2CCN(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.47
MTNR1B P49286 5/20 0.47
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
KDM4E B2RXH2 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PTGER4 P35408 1/20 0.38
HTR6 P50406 1/20 0.37
CPS1 P31327 1/20 0.37
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL4052414 0.86 MTNR1A (0.43) MTNR1AMTNR1BAKR1B10AKR1B1KDM4E
SCHEMBL4053464 0.83 MTNR1A (0.55) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL7890474 0.81 MTNR1A (0.41) MTNR1AMTNR1BKDM4EMEN1KMT2A
SCHEMBL13743682 0.80 MTNR1A (0.43) MTNR1AMTNR1BKDM4EMEN1KMT2A
SCHEMBL4048331 0.78 HTR6 (0.52) MTNR1AMTNR1BKDM4EKMT2AALDH1A1
SCHEMBL6642682 0.77 HTR6 (0.57) MTNR1AMTNR1BKDM4EALDH1A1PTGER4
SCHEMBL6642384 0.76 HTR6 (0.56) MTNR1AMTNR1BKDM4EMEN1KMT2A
SCHEMBL4049847 0.75 HTR6 (0.40) MTNR1AMTNR1BKDM4EMEN1KMT2A
SCHEMBL4052097 0.72 HTR2A (0.53) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL3950914 0.71 KDM4E (0.41) MTNR1AMTNR1BKDM4EALDH1A1HPGD

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 MTNR1A 2107/4885MTNR1B 2048/4885AKR1B10 2574/4885

“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.