SCHEMBL4283360

SCHEMBL4283360

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2COc2cccc(C(F)(F)F)n2)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP19 O94966 3/20 0.37
HCRTR2 O43614 8/20 0.32
HCRTR1 O43613 7/20 0.32
HTR1A P08908 1/20 0.31
DRD4 P21917 1/20 0.31
KCNH2 Q12809 1/20 0.31
OPRM1 P35372 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
Hydrochloric Acid SCHEMBL4293442 0.93 HCRTR1 (0.35) USP19HCRTR2HCRTR1HTR1ADRD4
SCHEMBL4291235 0.89 USP19 (0.38) USP19HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL4281611 0.88 USP19 (0.33) USP19HTR1ADRD4KCNH2
Hydrochloric Acid SCHEMBL4285131 0.88 USP19 (0.33) USP19HTR1ADRD4KCNH2
Hydrochloric Acid SCHEMBL4287483 0.88 USP19 (0.33) USP19HTR1ADRD4KCNH2
Hydrochloric Acid SCHEMBL4283476 0.87 USP19 (0.41) USP19KCNH2
SCHEMBL4282200 0.86 USP19 (0.39) USP19HCRTR2HCRTR1
SCHEMBL4284841 0.85 USP19 (0.40) USP19HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL4285230 0.85 USP19 (0.34) USP19
SCHEMBL4288707 0.84 USP19 (0.34) USP19HCRTR2HCRTR1

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

“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.