SCHEMBL5451497

SCHEMBL5451497

CC(C)(C)C/C(N)=C/C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
TSHR P16473 3/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
HIF1A Q16665 1/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.31
ATM Q13315 1/20 0.30
GGT1 P19440 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL2429605 1.00 KDM4E (0.33) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL5451500 1.00 KDM4E (0.33) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL5201103 0.76 KDM4E (0.30) KDM4ETSHR
SCHEMBL5201110 0.76 KDM4E (0.30) KDM4ETSHR
SCHEMBL5201113 0.76 KDM4E (0.30) KDM4ETSHR
SCHEMBL291544 0.73 KDM4E (0.45) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL291545 0.73 KDM4E (0.45) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL5454457 0.73 NPSR1 (0.47) LMNA
SCHEMBL5454460 0.73 NPSR1 (0.47) LMNA
SCHEMBL3403764 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD KDM4E 569/4885HMGCR 899/4885CHRM1 1327/4885

“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.