SCHEMBL4294633

SCHEMBL4294633

COc1ccc(Cl)c(OCC[C@@H]2CN(C(=O)O)CCN2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD3 P35462 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
CCR3 P51677 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HPGD P15428 2/20 0.35
F10 P00742 1/20 0.35
TSHR P16473 1/20 0.35
BIRC2 Q13490 1/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
SCN9A Q15858 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
HTT P42858 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
SCHEMBL4751931 1.00 HCRTR1 (0.38) HCRTR1HCRTR2KDM4EGAATDP1
SCHEMBL4753536 0.92 DRD3 (0.44) HCRTR1HCRTR2KDM4EDRD3HPGD
SCHEMBL4285584 0.92 DRD3 (0.44) HCRTR1HCRTR2KDM4EDRD3HPGD
SCHEMBL4752327 0.89 REN (0.37) KDM4EGAATDP1SMN1; SMN2ALDH1A1
SCHEMBL4281738 0.89 REN (0.37) KDM4EGAATDP1SMN1; SMN2ALDH1A1
SCHEMBL13705342 0.86 ALDH1A1 (0.43) ALDH1A1BIRC2SCN9A
Hydrochloric Acid SCHEMBL4285557 0.86 FFAR1 (0.36) KDM4ESMN1; SMN2ALDH1A1CCR3HPGD
Hydrochloric Acid SCHEMBL4285448 0.85 CPS1 (0.40) CCR3SCN9ASCN10A
SCHEMBL4292712 0.84 DRD3 (0.46) HCRTR1HCRTR2DRD3ALDH1A1HPGD
SCHEMBL4750156 0.84 DRD3 (0.46) HCRTR1HCRTR2DRD3ALDH1A1HPGD

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 HCRTR1 3147/4885HCRTR2 3136/4885KDM4E 760/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885KDM4E 760/4885

“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.