SCHEMBL4053464

SCHEMBL4053464

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.55
MTNR1B P49286 3/20 0.55
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PTGER4 P35408 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
HTR6 P50406 5/20 0.40
HRH1 P35367 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL13743682 0.84 MTNR1A (0.43) MTNR1AMTNR1BMAOAMAOBPTGER4
SCHEMBL4053149 0.83 MTNR1A (0.47) MTNR1AMTNR1BPTGER4HTR6ALDH1A1
SCHEMBL7890474 0.82 MTNR1A (0.41) MTNR1AMTNR1BMAOAMAOBPTGER4
SCHEMBL4048331 0.82 HTR6 (0.52) MTNR1AMTNR1BPTGER4HTR6ALDH1A1
SCHEMBL6642682 0.81 HTR6 (0.57) MTNR1AMTNR1BPTGER4HTR6ALDH1A1
SCHEMBL6642384 0.80 HTR6 (0.56) MTNR1AMTNR1BPTGER4HTR6ALDH1A1
SCHEMBL4052414 0.79 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL4049847 0.79 HTR6 (0.40) MTNR1AMTNR1BPTGER4HTR6ALDH1A1
SCHEMBL4056262 0.76 KDM4E (0.49) MTNR1AMTNR1BMAOAPTGER4ALDH1A1
SCHEMBL4054544 0.74 PIK3CA (0.68)

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
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

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 2048/4885MAOA 640/4885

“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.