SCHEMBL5577539

SCHEMBL5577539

COc1ccc(CN2CC=C(c3cccc(CNC(=O)c4ccccc4C)c3)CC2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
CHRM3 P20309 3/20 0.49
KDM4E B2RXH2 6/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 5/20 0.47
POLB P06746 1/20 0.47
GAA P10253 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
HPGD P15428 2/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
DRD3 P35462 1/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL5577781 0.93 CHRM3 (0.46) TAS1R3TAS1R1CHRM3KDM4EMAPT
SCHEMBL5577756 0.90 CHRM3 (0.51) TAS1R3TAS1R1CHRM3KDM4EMAPT
SCHEMBL5577262 0.89 MMP13 (0.53) CHRM3KDM4EMAPTALDH1A1POLB
SCHEMBL5577805 0.89 CHRM3 (0.56) CHRM3KDM4EMAPTALDH1A1POLB
SCHEMBL5577792 0.88 CHRM3 (0.51) CHRM3KDM4EMAPTALDH1A1POLB
SCHEMBL5577883 0.86 CHRM3 (0.55) CHRM3KDM4EMAPTMEN1KMT2A
SCHEMBL5577743 0.86 MEN1 (0.54) CHRM3KDM4EALDH1A1POLBMEN1
SCHEMBL5577789 0.85 CHRM3 (0.51) CHRM3KDM4EMAPTALDH1A1POLB
SCHEMBL5577509 0.84 CHRM3 (0.50) TAS1R3TAS1R1CHRM3KDM4EMAPT
SCHEMBL5577632 0.81 KDM4E (0.52) TAS1R3TAS1R1CHRM3KDM4EMAPT

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 TAS1R3 4087/4885TAS1R1 3850/4885CHRM3 2099/4885

“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.