SCHEMBL4284656

SCHEMBL4284656

COc1ccc(F)cc1OCC[C@@H]1CN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
KMT2A Q03164 3/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
RBP4 P02753 2/20 0.39
F10 P00742 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
DRD4 P21917 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37

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
SCHEMBL4294041 0.96 HCRTR1 (0.40) FFAR1FFAR4HCRTR1HCRTR2KMT2A
SCHEMBL4287638 0.88 LMNA (0.50) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL4281106 0.86 BTK (0.39) KDM4EALDH1A1POLB
SCHEMBL4284676 0.85 MAPT (0.43) KMT2AKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL4290774 0.85 DRD3 (0.49) HCRTR1HCRTR2KMT2AMEN1
SCHEMBL4285580 0.84 CPS1 (0.46) FFAR1HCRTR1HCRTR2KDM4E
SCHEMBL4285755 0.84 KDM4E (0.51) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL4287265 0.83 KDM4E (0.45) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL4289383 0.83 RAB9A (0.43) KMT2ARBP4KDM4EMEN1ALDH1A1
SCHEMBL4285550 0.83 MEN1 (0.40) KMT2AKDM4EMEN1ALDH1A1

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 FFAR1 3042/4885FFAR4 3121/4885HCRTR1 3147/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT FFAR1 3042/4885FFAR4 3121/4885HCRTR1 3147/4885

“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.