SCHEMBL4293870

SCHEMBL4293870

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2Cc2ccc(C#N)cc2)c1-c1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP19 O94966 3/20 0.35
CYP3A4 P08684 4/20 0.33
USP2 O75604 3/20 0.33
CYP2D6 P10635 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
PRKAA2 P54646 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
GLA P06280 1/20 0.33
CYP2C19 P33261 1/20 0.33
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 5/20 0.33
HPGD P15428 1/20 0.33
TACR1 P25103 1/20 0.32
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
EP300 Q09472 2/20 0.31
REN P00797 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
SCHEMBL4292735 0.94 USP19 (0.36) USP19CYP3A4HCRTR1HCRTR2DPP4
SCHEMBL4293872 0.93 USP19 (0.39) USP19CYP3A4HCRTR1HCRTR2DPP4
SCHEMBL4281650 0.93 USP19 (0.39) USP19CYP3A4HCRTR1HCRTR2DPP4
SCHEMBL4289705 0.92 USP19 (0.36) USP19CYP3A4HCRTR1HCRTR2DPP4
SCHEMBL4292301 0.92 USP19 (0.36) USP19CYP3A4HCRTR1HCRTR2DPP4
Hydrochloric Acid SCHEMBL4287687 0.92 USP19 (0.37) USP19PRKAA2TACR1REN
SCHEMBL4289693 0.89 DPP4 (0.38) USP19CYP3A4HCRTR1HCRTR2DPP4
SCHEMBL4283650 0.88 USP19 (0.36) USP19HCRTR1HCRTR2DPP4DPP7
SCHEMBL13705378 0.86 USP19 (0.38) USP19CYP3A4HCRTR1HCRTR2DPP4
SCHEMBL13341800 0.86 CA1 (0.40) USP19CYP3A4HCRTR1HCRTR2DPP4

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 1993/4885CYP3A4 50/4885USP2 3845/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT USP19 1993/4885CYP3A4 50/4885USP2 3845/4885

“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.