SCHEMBL4289562

SCHEMBL4289562

O=C(O)N1CCN(C(=O)O)[C@H](CCOc2ccc3[nH]c(=O)oc3c2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
KCNH2 Q12809 2/20 0.41
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
ENPP2 Q13822 9/20 0.39
ATXN2 Q99700 3/20 0.39
CREBBP Q92793 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
JAK3 P52333 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL4285910 0.82 KDM1A (0.45) KDM1AKCNH2GRIN2DGRIN3BGRIN1
SCHEMBL4289498 0.78 TLR7 (0.39)
SCHEMBL4288979 0.77 GPR183 (0.47) KDM4EALDH1A1
SCHEMBL4290172 0.77 GPR183 (0.46) KDM4E
SCHEMBL4287375 0.76 RAB9A (0.50) KDM4EALDH1A1
SCHEMBL4285120 0.76 NPC1 (0.39) KCNH2
SCHEMBL3494366 0.76 TEAD1 (0.50) KDM4EALDH1A1
SCHEMBL4282219 0.76 RAB9A (0.38) KDM4E
SCHEMBL4281983 0.75 L3MBTL1 (0.48) KDM4EALDH1A1
SCHEMBL4281940 0.75 KCNA5 (0.46) ALDH1A1

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM1A 661/4885KCNH2 664/4885GRIN2D 4693/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM1A 661/4885KCNH2 664/4885GRIN2D 4693/4885

“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.