SCHEMBL4283620

SCHEMBL4283620

O=C(O)N1CCN(C(=O)O)[C@H](CCOc2cccc3sccc23)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.37
OPRK1 P41145 4/20 0.37
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
MGLL Q99685 1/20 0.33
FAAH O00519 1/20 0.33
DRD3 P35462 1/20 0.33
EPAS1 Q99814 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32

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
SCHEMBL4284051 0.80 CA1 (0.34) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL4282070 0.79 NPC1 (0.48) KDM4EALDH1A1LMNA
SCHEMBL4288946 0.78 KDM4E (0.51) HTR1ADRD2FAAHKDM4EALDH1A1
SCHEMBL4283481 0.78 MEN1 (0.47) KDM4EALDH1A1MAPTHTT
SCHEMBL4297009 0.78 KDM4E (0.47) KDM4EALDH1A1HTTNPSR1
SCHEMBL4287941 0.78 KDM4E (0.47) KDM4EALDH1A1MAPTNPSR1
SCHEMBL4287638 0.78 LMNA (0.50) DRD2DRD3KDM4EALDH1A1LMNA
SCHEMBL4293729 0.78 MAPK1 (0.41) KDM4EALDH1A1LMNAHTT
SCHEMBL4285550 0.78 MEN1 (0.40) DRD2DRD3KDM4EALDH1A1LMNA
SCHEMBL4282697 0.77 KMT2A (0.48) ALDH1A1LMNAMAPTHTTNPSR1

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 OPRM1 3919/4885OPRK1 2640/4885HTR1A 4012/4885

“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.