SCHEMBL5577262

SCHEMBL5577262

COc1ccc(CN2CC=C(c3cccc(CNC(=O)c4ccc(C)cc4)c3)CC2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.53
CHRM3 P20309 4/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
WDR5 P61964 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
NAMPT P43490 1/20 0.46
HTR1A P08908 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL5577805 0.97 CHRM3 (0.56) MMP13CHRM3MEN1KMT2AWDR5
SCHEMBL5577756 0.94 CHRM3 (0.51) MMP13CHRM3MEN1KMT2AWDR5
SCHEMBL5577743 0.94 MEN1 (0.54) MMP13CHRM3MEN1KMT2AWDR5
SCHEMBL5577792 0.93 CHRM3 (0.51) MMP13CHRM3MEN1KMT2AWDR5
SCHEMBL5577509 0.92 CHRM3 (0.50) MMP13CHRM3MEN1KMT2AWDR5
SCHEMBL5577781 0.90 CHRM3 (0.46) MMP13CHRM3MEN1KMT2AWDR5
SCHEMBL5577539 0.89 TAS1R3 (0.50) CHRM3MEN1KMT2AKDM4EMAPT
SCHEMBL5577732 0.86 CHRM3 (0.65) MMP13CHRM3MEN1KMT2AWDR5
SCHEMBL5577722 0.86 SMN1; SMN2 (0.55) CHRM3WDR5ALDH1A1NAMPT
SCHEMBL5577458 0.85 CHRM3 (0.61) CHRM3MEN1KMT2AWDR5ALDH1A1

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 MMP13 1037/4885CHRM3 2099/4885MEN1 748/4885

“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.