SCHEMBL4289861

SCHEMBL4289861

O=C(O)N1CCN(C(=O)O)[C@H](CCOc2ccc3c(c2)CCO3)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
KDM4C Q9H3R0 1/20 0.39
FAAH O00519 1/20 0.38
GPR183 P32249 1/20 0.38
CHRM1 P11229 5/20 0.36
CHRM5 P08912 4/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM3 P20309 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
KCNE1 P15382 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL4287271 0.92 TSHR (0.42) TSHRPPARGMAOBPPARAACHE
SCHEMBL4287375 0.84 RAB9A (0.50) TSHRFAAHDRD2MAOBKDM4E
SCHEMBL4287834 0.82 KDM4E (0.41) PPARGPPARAKDM4ENPC1
Hydrochloric Acid SCHEMBL4289106 0.80 TSHR (0.41) TSHRKDM4CFAAHGPR183CHRM1
SCHEMBL4290774 0.79 DRD3 (0.49)
SCHEMBL4284643 0.79 MAOB (0.50) MAOBKDM4E
SCHEMBL4290172 0.78 GPR183 (0.46) GPR183DRD2OPRK1PPARGPPARA
SCHEMBL4288979 0.78 GPR183 (0.47) GPR183KDM4ENPC1RAB9A
SCHEMBL4292798 0.78 MAOA (0.51) TSHRDRD2HTR2ASLC6A4OPRK1
SCHEMBL3494366 0.78 TEAD1 (0.50) TSHRKDM4ENPC1RAB9A

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 TSHR 3226/4885KDM4C 506/4885FAAH 2632/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TSHR 3226/4885KDM4C 506/4885FAAH 2632/4885

“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.