SCHEMBL5577388

SCHEMBL5577388

COc1ccc(CN2CC=C(c3cccc(CNC(=O)c4ccc(F)cc4)c3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TSHR P16473 1/20 0.52
WDR5 P61964 1/20 0.51
THRB P10828 1/20 0.49
HTR1A P08908 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MMP13 P45452 2/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL5577732 0.96 CHRM3 (0.65) CHRM3MEN1KMT2ATSHRWDR5
SCHEMBL5577729 0.92 CHRM3 (0.60) CHRM3MEN1KMT2ATSHRWDR5
SCHEMBL5577472 0.90 CHRM3 (0.58) CHRM3MEN1KMT2ATSHRWDR5
SCHEMBL5577397 0.90 ALDH1A1 (0.55) CHRM3MEN1KMT2AWDR5
SCHEMBL5577743 0.89 MEN1 (0.54) CHRM3MEN1KMT2AWDR5HTR1A
SCHEMBL5577340 0.89 MEN1 (0.52) CHRM3MEN1KMT2ALMNA
SCHEMBL5577458 0.89 CHRM3 (0.61) CHRM3MEN1KMT2ATSHRWDR5
SCHEMBL5577371 0.89 CHRM3 (0.58) CHRM3MEN1KMT2ATSHRWDR5
SCHEMBL5577409 0.88 MAPK1 (0.63) CHRM3MEN1KMT2ATHRBHTR1A
SCHEMBL5577540 0.87 CHRM3 (0.51) CHRM3MEN1KMT2AHTR1A

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 2099/4885MEN1 748/4885KMT2A 3527/4885

“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.