SCHEMBL13705409

SCHEMBL13705409

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2Cc2ccccc2Oc2ccccc2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP19 O94966 6/20 0.36
REN P00797 1/20 0.36
SLC6A2 P23975 6/20 0.33
SLC6A4 P31645 6/20 0.33
SLC6A3 Q01959 4/20 0.33
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
CYP2D6 P10635 3/20 0.33
KCNH2 Q12809 3/20 0.32

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
Trifluoroacetic Acid SCHEMBL4291249 0.97 USP19 (0.34) USP19RENSLC6A2SLC6A4SLC6A3
SCHEMBL4289980 0.94 USP19 (0.38) USP19RENHCRTR1HCRTR2
SCHEMBL4286360 0.94 USP19 (0.38) USP19RENHCRTR1HCRTR2
SCHEMBL4290281 0.90 USP19 (0.37) USP19RENSLC6A2SLC6A4SLC6A3
SCHEMBL4293974 0.90 USP19 (0.37) USP19RENSLC6A2SLC6A4SLC6A3
SCHEMBL4285511 0.90 USP19 (0.37) USP19RENHCRTR1HCRTR2
SCHEMBL13341800 0.89 CA1 (0.40) USP19RENHCRTR1HCRTR2
SCHEMBL4285554 0.89 CA1 (0.40) USP19RENHCRTR1HCRTR2
SCHEMBL13705374 0.89 CA1 (0.40) USP19RENHCRTR1HCRTR2
SCHEMBL13705388 0.89 CA1 (0.40) USP19RENHCRTR1HCRTR2

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 3 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-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 1993/4885REN 1/4885SLC6A2 149/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT USP19 1993/4885REN 1/4885SLC6A2 149/4885

“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.