SCHEMBL4283864

SCHEMBL4283864

O=C1COCCN1C1CCC2(CC1)CO2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.33
PIK3CD O00329 3/20 0.33
PTGS2 P35354 3/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CYP2C19 P33261 1/20 0.32
TACR1 P25103 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3828646 0.84 CYP2C19 (0.42) F10PIK3CDCYP2C19TACR1ALDH1A1
SCHEMBL29865291 0.82 F10 (0.38) F10PIK3CDPTGS2IRAK4TACR1
SCHEMBL4475218 0.80 F10 (0.35) F10PIK3CDPTGS2IRAK4
SCHEMBL15972321 0.79 DGAT1 (0.38) F10PIK3CDPTGS2CYP2C19ALDH1A1
SCHEMBL4292957 0.79 F10 (0.35) F10PIK3CDCYP2C19TACR1ALDH1A1
SCHEMBL7886958 0.78 MEN1 (0.39) F10PTGS2CYP2C19ALDH1A1
SCHEMBL4282289 0.76 F10 (0.35) F10PIK3CDIRAK4TACR1
SCHEMBL18123296 0.75 F10 (0.37) F10PIK3CDIRAK4
SCHEMBL76628 0.75 F10 (0.35) F10PIK3CDIRAK4
SCHEMBL8341564 0.75 PKM (0.38) F10PIK3CDIRAK4ALDH1A1

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 7 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-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
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 F10 3008/4885PIK3CD 1146/4885PTGS2 158/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT F10 3008/4885PIK3CD 1146/4885PTGS2 158/4885

“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.