SCHEMBL4281124

SCHEMBL4281124

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@@H]2CCc2ccccc2OC(F)(F)F)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP19 O94966 5/20 0.35
HCRTR2 O43614 11/20 0.32
HCRTR1 O43613 10/20 0.32
NTRK1 P04629 1/20 0.32
SLC6A9 P48067 1/20 0.32
CYP2C9 P11712 1/20 0.32
EPHX2 P34913 1/20 0.32
CYP2J2 P51589 1/20 0.32
HSD17B13 Q7Z5P4 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
SCHEMBL4286760 1.00 USP19 (0.35) USP19HCRTR2HCRTR1NTRK1SLC6A9
SCHEMBL4287539 0.92 USP19 (0.35) USP19HCRTR2HCRTR1
SCHEMBL4283415 0.92 USP19 (0.35) USP19HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL4287917 0.91 HCRTR1 (0.36) USP19HCRTR2HCRTR1SLC6A9
Hydrochloric Acid SCHEMBL4281592 0.88 USP19 (0.34) USP19HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL4292115 0.88 USP19 (0.34) USP19HCRTR2HCRTR1
SCHEMBL4289980 0.88 USP19 (0.38) USP19HCRTR2HCRTR1
SCHEMBL4286360 0.88 USP19 (0.38) USP19HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL4287259 0.88 USP19 (0.38) USP19HCRTR2HCRTR1
SCHEMBL4282155 0.88 USP19 (0.35) 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.