SCHEMBL4290602

SCHEMBL4290602

COC(=O)c1ccc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
LMNA P02545 3/20 0.38
TTR P02766 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.35
EGFR P00533 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 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
SCHEMBL4290115 0.90 ALDH1A1 (0.45) HCRTR1HCRTR2LMNAALDH1A1KDM4E
SCHEMBL4284676 0.89 MAPT (0.43) LMNAALDH1A1CYP2C19HTTKDM4E
SCHEMBL4285580 0.86 CPS1 (0.46) HCRTR1HCRTR2LMNAKDM4E
SCHEMBL4284003 0.85 HCRTR1 (0.41) HCRTR1HCRTR2ALDH1A1HTTRAB9A
SCHEMBL4290199 0.83 HCRTR1 (0.41) HCRTR1HCRTR2ALDH1A1CYP1A2CYP3A4
SCHEMBL4291196 0.83 KDM4E (0.45) HCRTR1HCRTR2LMNAALDH1A1HTT
SCHEMBL4281655 0.83 KDM4E (0.52) ALDH1A1HTTRAB9AKDM4EMAPT
SCHEMBL4282070 0.82 NPC1 (0.48) HCRTR1HCRTR2LMNAALDH1A1CYP1A2
SCHEMBL4286140 0.82 HCRTR1 (0.44) HCRTR1HCRTR2ALDH1A1CYP1A2CYP3A4
SCHEMBL4281735 0.81 HCRTR1 (0.38) HCRTR1HCRTR2LMNAKDM4EHRH3

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 HCRTR1 3147/4885HCRTR2 3136/4885LMNA 1785/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885LMNA 1785/4885

“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.