SCHEMBL4296709

SCHEMBL4296709

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP19 O94966 9/20 0.38
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
POLB P06746 1/20 0.30

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
SCHEMBL4291024 0.96 USP19 (0.39) USP19HCRTR1HCRTR2CA1CA2
SCHEMBL13705375 0.93 USP19 (0.37) USP19HCRTR1HCRTR2CA1CA2
SCHEMBL4283362 0.93 USP19 (0.37) USP19HCRTR1HCRTR2
SCHEMBL4284841 0.93 USP19 (0.40) USP19HCRTR1HCRTR2CA1CA2
Hydrochloric Acid SCHEMBL4282955 0.92 USP19 (0.37) USP19HCRTR1HCRTR2CA1CA2
Hydrochloric Acid SCHEMBL4287259 0.91 USP19 (0.38) USP19HCRTR1HCRTR2CA1CA2
SCHEMBL4287621 0.91 HCRTR1 (0.41) USP19HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL4282670 0.90 HCRTR1 (0.40) USP19HCRTR1HCRTR2
SCHEMBL13341800 0.90 CA1 (0.40) USP19HCRTR1HCRTR2CA1CA2
SCHEMBL4285554 0.90 CA1 (0.40) USP19HCRTR1HCRTR2CA1CA2

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

“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.