SCHEMBL4287722

SCHEMBL4287722

COc1ccc(C[C@@H]2CNCCN2C(=O)c2ncn([C@@H]3CCCC[C@@]3(O)CC3CC3)c2-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP19 O94966 4/20 0.39
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
REN P00797 2/20 0.35
CHRNA7 P36544 2/20 0.34
KCNH2 Q12809 1/20 0.33
SLC6A9 P48067 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL13705371 0.93 CA1 (0.41) USP19CA1CA2CA4CA9
SCHEMBL13705365 0.93 CA1 (0.41) USP19CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4285141 0.92 CA1 (0.41) USP19CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4291097 0.92 CA1 (0.41) USP19CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4287469 0.92 USP19 (0.39) USP19CA1CA2CA4CA9
SCHEMBL4292538 0.90 CA1 (0.37) USP19CA1CA2CA4CA9
SCHEMBL4283304 0.90 CA1 (0.36) USP19CA1CA2CA4CA9
SCHEMBL13341800 0.87 CA1 (0.40) USP19CA1CA2CA4CA9
SCHEMBL4285554 0.87 CA1 (0.40) USP19CA1CA2CA4CA9
SCHEMBL13705374 0.87 CA1 (0.40) USP19CA1CA2CA4CA9

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 5 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
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 1993/4885CA1 2275/4885CA2 218/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT USP19 1993/4885CA1 2275/4885CA2 218/4885

“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.