SCHEMBL5577781

SCHEMBL5577781

COc1ccc(CN2CC=C(c3cccc(CNC(=O)c4cc(C)ccc4C)c3)CC2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
WDR5 P61964 1/20 0.41
LMNA P02545 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL5577539 0.93 TAS1R3 (0.50) CHRM3MEN1KMT2ATAS1R3TAS1R1
SCHEMBL5577262 0.90 MMP13 (0.53) CHRM3MEN1KMT2AKDM4EMAPT
SCHEMBL5577792 0.89 CHRM3 (0.51) CHRM3MEN1KMT2AKDM4EMAPT
SCHEMBL5577805 0.88 CHRM3 (0.56) CHRM3MEN1KMT2AKDM4EMAPT
SCHEMBL5577756 0.87 CHRM3 (0.51) CHRM3MEN1KMT2ATAS1R3TAS1R1
SCHEMBL5577857 0.86 CHRM3 (0.52) CHRM3MEN1KMT2AKDM4EMAPT
SCHEMBL5577743 0.85 MEN1 (0.54) CHRM3MEN1KMT2AKDM4EALDH1A1
SCHEMBL5577509 0.84 CHRM3 (0.50) CHRM3MEN1KMT2ATAS1R3TAS1R1
SCHEMBL5577308 0.82 MEN1 (0.52) CHRM3MEN1KMT2ATAS1R3TAS1R1
SCHEMBL5577666 0.80 CHRM3 (0.52) CHRM3MEN1KMT2AKDM4EMAPT

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.