SCHEMBL5082857

SCHEMBL5082857

CN1C2CCC1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C13CC(C1)C3)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.51
CHRM2 P08172 1/20 0.49
DRD1 P21728 1/20 0.49
EPHA2 P29317 1/20 0.49
FLT4 P35916 1/20 0.49
GSK3B P49841 1/20 0.49
RARB P10826 1/20 0.49
TBXAS1 P24557 1/20 0.49
SLC6A3 Q01959 1/20 0.49
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
NFKB1 P19838 1/20 0.47
HTT P42858 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL5080289 0.86 EPHA2 (0.49) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL5083242 0.86 EPHA2 (0.49) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL9669861 0.84 DPP4 (0.68) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL5083140 0.84 DPP4 (0.52) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL5083144 0.84 DPP4 (0.52) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL5080362 0.84 DPP4 (0.52) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL5083223 0.84 DPP4 (0.52) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL5083215 0.84 DPP4 (0.52) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL5080649 0.84 KMT2A (0.52) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL5086825 0.84 LMNA (0.47) DPP4CHRM2DRD1EPHA2FLT4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990006307-A2 ANTIBACTERIAL QUINOLONE COMPOUNDS THE UPJOHN COMPANY (US) 1990-06-14 WO claimed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-5385906-A Treating gramnegative and grampositive bacterial infections THE UPJOHN COMPANY (US) 1995-01-31 US disclosed
US-5262417-A Antibacterial quinolone compounds THE UPJOHN COMPANY (US) 1993-11-16 US disclosed
EP-0447484-A1 ANTIBACTERIAL QUINOLONE COMPOUNDS THE UPJOHN COMPANY (US) 1991-09-25 EP disclosed
WO-1990006307-A2 ANTIBACTERIAL QUINOLONE COMPOUNDS THE UPJOHN COMPANY (US) 1990-06-14 WO 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN DPP4 982/4885CHRM2 1805/4885DRD1 3476/4885

“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.