SCHEMBL4287271

SCHEMBL4287271

O=C(O)N1CCN(C(=O)O)[C@H](CCOc2ccc3c(c2)OCC3)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
PPARG P37231 4/20 0.39
PPARA Q07869 1/20 0.39
MAOB P27338 4/20 0.38
ACHE P22303 1/20 0.37
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
MAOA P21397 1/20 0.34
FKBP1A P62942 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
GRM5 P41594 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4289861 0.92 TSHR (0.42) TSHRPPARGPPARAMAOBACHE
SCHEMBL4287375 0.84 RAB9A (0.50) TSHRMAOBKDM4ENPC1RAB9A
SCHEMBL4291445 0.81 TSHR (0.41) TSHRPPARGPPARAMAOBACHE
SCHEMBL4290774 0.79 DRD3 (0.49) FKBP1AHPGDHCRTR1
SCHEMBL4288979 0.78 GPR183 (0.47) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL4290172 0.78 GPR183 (0.46) PPARGPPARAKDM4ENPC1RAB9A
SCHEMBL4287834 0.78 KDM4E (0.41) PPARGPPARAKDM4ENPC1ALDH1A1
SCHEMBL4281773 0.78 MAOB (0.51) MAOBMAOA
SCHEMBL8116311 0.78 PARP1 (0.50) MAOBNPC1RAB9AALDH1A1HPGD
SCHEMBL3494366 0.78 TEAD1 (0.50) TSHRKDM4ENPC1RAB9AALDH1A1

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 3 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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 TSHR 3226/4885PPARG 1951/4885PPARA 1588/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TSHR 3226/4885PPARG 1951/4885PPARA 1588/4885

“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.