SCHEMBL4285982

SCHEMBL4285982

COc1cc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GPR183 P32249 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4281669 0.92 KDM4E (0.39) DRD3KMT2AMEN1KDM4EALDH1A1
SCHEMBL4290774 0.91 DRD3 (0.49) DRD3KMT2AMEN1HCRTR1HCRTR2
SCHEMBL4290172 0.89 GPR183 (0.46) DRD3KMT2AMEN1MAPTKDM4E
SCHEMBL4286026 0.85 HPGD (0.49) DRD3KMT2AMAPTKDM4EALDH1A1
SCHEMBL4288262 0.85 FFAR1 (0.39) KMT2AMEN1KDM4EALDH1A1HCRTR1
SCHEMBL4285970 0.84 KDM4E (0.51) DRD3KMT2AKDM4EALDH1A1MAPK1
SCHEMBL4281983 0.83 L3MBTL1 (0.48) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL4286355 0.82 HCRTR1 (0.44) DRD3KMT2AMEN1KDM4EALDH1A1
SCHEMBL4285755 0.82 KDM4E (0.51) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL4283120 0.82 CYP1A2 (0.43) KMT2AMEN1KDM4EALDH1A1MAPK1

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 DRD3 3476/4885KMT2A 1049/4885MEN1 1254/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT DRD3 3476/4885KMT2A 1049/4885MEN1 1254/4885

“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.