SCHEMBL4294366

SCHEMBL4294366

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)O)C[C@H]2C[C@H](O)c2ccccc2)c1-c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP19 O94966 2/20 0.32
CYP2D6 P10635 5/20 0.32
CYP1A2 P05177 3/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
LMNA P02545 1/20 0.31
CHRNB2 P17787 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC18A2 Q05940 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
SCHEMBL4295186 1.00 USP19 (0.32) USP19CYP2D6CYP1A2HIF1ATSHR
SCHEMBL13705255 0.93 USP30 (0.33) USP19
SCHEMBL13705260 0.93 USP30 (0.33) USP19
SCHEMBL4284990 0.88 HCRTR1 (0.32) USP19
SCHEMBL4284891 0.88 CA1 (0.36)
SCHEMBL4296669 0.88 HTR1A (0.30)
SCHEMBL4284686 0.88 HTR1A (0.30)
SCHEMBL4281714 0.88 USP19 (0.31) USP19
Hydrochloric Acid SCHEMBL4295785 0.87 USP19 (0.37) USP19CYP2D6CYP1A2HIF1ATSHR
Hydrochloric Acid SCHEMBL4284693 0.87 USP19 (0.37) USP19CYP2D6CYP1A2HIF1ATSHR

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 1993/4885CYP2D6 173/4885CYP1A2 89/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT USP19 1993/4885CYP2D6 173/4885CYP1A2 89/4885

“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.