SCHEMBL4281553

SCHEMBL4281553

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCNc2ccc(OC(F)(F)F)cc2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP19 O94966 2/20 0.34
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
EPHX2 P34913 2/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CHRNA7 P36544 2/20 0.31
KCNH2 Q12809 1/20 0.31
MCHR1 Q99705 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
CTSK P43235 1/20 0.31
CHRM4 P08173 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
SCHEMBL4294576 0.94 USP19 (0.38) USP19HCRTR1HCRTR2CHRNA7KCNH2
SCHEMBL4281275 0.93 USP19 (0.37) USP19HCRTR1HCRTR2
SCHEMBL4286293 0.92 USP19 (0.35) USP19HCRTR1HCRTR2
SCHEMBL4289782 0.92 USP19 (0.35) USP19HCRTR1HCRTR2CHRNA7
SCHEMBL4286585 0.92 HCRTR1 (0.37) USP19HCRTR1HCRTR2CHRNA7
SCHEMBL4294697 0.91 USP19 (0.34) USP19HCRTR1HCRTR2CHRNA7KCNH2
SCHEMBL4288964 0.91 USP19 (0.35) USP19HCRTR1HCRTR2
SCHEMBL4286333 0.88 USP19 (0.37) USP19HCRTR1HCRTR2CHRNA7KCNH2
SCHEMBL4285519 0.88 USP19 (0.34) USP19HCRTR1HCRTR2
SCHEMBL4283961 0.88 USP19 (0.36) USP19

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 2 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

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 USP19 1993/4885HCRTR1 3147/4885HCRTR2 3136/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT USP19 1993/4885HCRTR1 3147/4885HCRTR2 3136/4885

“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.