SCHEMBL5577883

SCHEMBL5577883

COc1ccc(CN2CC=C(c3cccc(CNC(=O)c4ccccc4C)c3)CC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.55
APEX1 P27695 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
WDR5 P61964 1/20 0.45
DRD3 P35462 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL5577857 0.93 CHRM3 (0.52) CHRM3APEX1SMN1; SMN2KDM4EMAPT
SCHEMBL5577666 0.93 CHRM3 (0.52) CHRM3APEX1SMN1; SMN2KDM4EMAPT
SCHEMBL5577493 0.89 SMN1; SMN2 (0.58) CHRM3SMN1; SMN2WDR5LMNATP53
SCHEMBL5577789 0.89 CHRM3 (0.51) CHRM3KDM4EMAPTDRD3MEN1
SCHEMBL5577722 0.88 SMN1; SMN2 (0.55) CHRM3SMN1; SMN2WDR5
SCHEMBL5577442 0.87 CHRM3 (0.58) CHRM3SMN1; SMN2WDR5TP53
SCHEMBL5577539 0.86 TAS1R3 (0.50) CHRM3KDM4EMAPTDRD3MEN1
SCHEMBL5577458 0.86 CHRM3 (0.61) CHRM3SMN1; SMN2WDR5MEN1KMT2A
SCHEMBL5577893 0.85 SMN1; SMN2 (0.51) CHRM3SMN1; SMN2MAPTWDR5
SCHEMBL5577397 0.85 ALDH1A1 (0.55) CHRM3SMN1; SMN2WDR5MEN1KMT2A

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
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C CHRM3 2099/4885APEX1 542/4885SMN1; SMN2 2012/4885

“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.