SCHEMBL13705352

SCHEMBL13705352

CC(C)(C)OC(=O)N1CCN[C@H](Cn2nnc(-c3ccccc3)n2)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
ESR2 Q92731 1/20 0.51
HPGDS O60760 3/20 0.45
RAB9A P51151 2/20 0.44
USP30 Q70CQ3 8/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL4294538 0.85 RAB9A (0.49) ALDH1A1RAB9AMEN1KMT2AHPGD
SCHEMBL8106348 0.78 USP30 (0.45) HPGDSUSP30MAPK1
SCHEMBL13705280 0.78 USP30 (0.43) HPGDSUSP30MAPK1
SCHEMBL13705095 0.77 GAA (0.42) RAB9AUSP30MAPK1
SCHEMBL2943387 0.77 CA1 (0.54) USP30MAPK1KDM4EPKM
SCHEMBL17058 0.77 CA1 (0.54) USP30MAPK1KDM4EPKM
SCHEMBL3494790 0.77 CA1 (0.54) USP30MAPK1KDM4EPKM
SCHEMBL8112724 0.75 MAPK1 (0.40) ALDH1A1HPGDSUSP30MAPK1KDM4E
SCHEMBL13705091 0.75 LTA4H (0.46) USP30MAPK1KDM4EPKM
SCHEMBL8238692 0.75 MAPK1 (0.46) ALDH1A1HPGDSUSP30MAPK1HPGD

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 4 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-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
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 ALDH1A1 388/4885MAPT 3142/4885ESR2 4531/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885MAPT 3142/4885ESR2 4531/4885

“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.