SCHEMBL4286140

SCHEMBL4286140

COC(=O)c1cccc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
KMT2A Q03164 1/20 0.40
PPARG P37231 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4289699 0.89 MAOB (0.45) HCRTR1HCRTR2ALDH1A1RAB9AKMT2A
SCHEMBL4281655 0.87 KDM4E (0.52) ALDH1A1MAPTRAB9ADRD2DRD3
SCHEMBL4285970 0.87 KDM4E (0.51) HCRTR1HCRTR2ALDH1A1DRD2DRD3
SCHEMBL4294643 0.86 KDM4E (0.43) HCRTR1HCRTR2ALDH1A1DRD2DRD3
SCHEMBL4285558 0.85 HRH3 (0.45) HCRTR1HCRTR2ALDH1A1DRD2DRD3
SCHEMBL4280901 0.84 GRM5 (0.38) ALDH1A1KMT2AKDM4E
SCHEMBL3494366 0.83 TEAD1 (0.50) ALDH1A1MAPTRAB9AKMT2AKDM4E
SCHEMBL4290686 0.83 ENPP2 (0.43) HCRTR1HCRTR2ALDH1A1
SCHEMBL4287625 0.83 KDM4E (0.50) ALDH1A1CYP2D6KMT2AKDM4E
SCHEMBL4284676 0.82 MAPT (0.43) ALDH1A1CYP2C19MAPTKMT2AKDM4E

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-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 (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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885ALDH1A1 388/4885

“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.