SCHEMBL4301642

SCHEMBL4301642

COC(=O)c1cccc2c1cnn2CC[C@@H]1CN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.38
FNTA P49354 5/20 0.36
FNTB P49356 5/20 0.36
ADORA1 P30542 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
MCHR1 Q99705 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NR4A2 P43354 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
CCR1 P32246 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4289440 0.82 CYP11B2 (0.37) CYP11B2ADORA1KDM4EALDH1A1HTT
SCHEMBL4292396 0.81 ELANE (0.44) KDM4EALDH1A1HTTKMT2ACNR1
SCHEMBL4285897 0.79 KMO (0.51) ALDH1A1L3MBTL1HSD17B10MEN1CYP1A2
SCHEMBL4295762 0.75 PTGER4 (0.36) FNTAFNTBKDM4EALDH1A1MEN1
SCHEMBL15997886 0.74 CYP11B2 (0.48) CYP11B2KDM4EL3MBTL1HSD17B10NR4A2
SCHEMBL15987446 0.74 CYP11B2 (0.48) CYP11B2ADORA1KDM4EALDH1A1HSD17B10
SCHEMBL15999081 0.74 CYP11B2 (0.46) CYP11B2ADORA1KDM4EHSD17B10NR4A2
SCHEMBL15999037 0.73 CYP11B2 (0.47) CYP11B2KDM4EL3MBTL1HSD17B10NR4A2
SCHEMBL4289100 0.73 KMT2A (0.54) KDM4EALDH1A1HTTMEN1CYP1A2
SCHEMBL4292497 0.73 KMO (0.49) KDM4EALDH1A1MCHR1L3MBTL1HSD17B10

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 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-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CYP11B2 6/4885FNTA 1157/4885FNTB 2585/4885

“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.