SCHEMBL4283869

SCHEMBL4283869

O=C(O)N1CCN(C(=O)O)[C@H](CCn2cc(CCO)nn2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH4 Q9H3N8 4/20 0.33
HRH3 Q9Y5N1 3/20 0.33
ALDH1A1 P00352 2/20 0.32
ITGAV P06756 2/20 0.32
ITGB5 P18084 2/20 0.32
ALOX5 P09917 1/20 0.32
ITGB3 P05106 1/20 0.32
NEU4 Q8WWR8 1/20 0.32
NEU3 Q9UQ49 1/20 0.32
FOLH1 Q04609 1/20 0.31
CSNK2A1 P68400 1/20 0.31
HDAC1 Q13547 1/20 0.31
GBA1 P04062 2/20 0.31

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
SCHEMBL4283151 0.91 HRH4 (0.34) POLBKMT2AHRH4HRH3
SCHEMBL4284757 0.83 GPR88 (0.35) POLBHRH4HRH3ALOX5
SCHEMBL4294620 0.81 CYP19A1 (0.36) HRH4HRH3
SCHEMBL4295181 0.81 DPP4 (0.33)
Hydrochloric Acid SCHEMBL4283908 0.78 KMT2A (0.53) POLBKMT2AHRH4HRH3ALDH1A1
SCHEMBL4292395 0.76 ALDH1A1 (0.47) POLBKMT2AALDH1A1
SCHEMBL4285493 0.73 LMNA (0.36) KMT2AALDH1A1
SCHEMBL4788402 0.72 CA1 (0.35)
SCHEMBL3494104 0.72 CA1 (0.35)
SCHEMBL16637819 0.72 CA1 (0.35)

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 POLB 3799/4885KMT2A 1049/4885HRH4 616/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT POLB 3799/4885KMT2A 1049/4885HRH4 616/4885

“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.