SCHEMBL4282200

SCHEMBL4282200

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2COc2ccc(C(=O)O)cn2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP19 O94966 2/20 0.39
GABRA5 P31644 3/20 0.34
CNR2 P34972 1/20 0.34
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 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
Hydrochloric Acid SCHEMBL4288911 0.95 USP19 (0.37) USP19GABRA5CNR2CHRNB2CHRNA7
Hydrochloric Acid SCHEMBL4283476 0.89 USP19 (0.41) USP19CHRNA7
SCHEMBL4291024 0.88 USP19 (0.39) USP19HCRTR1HCRTR2
SCHEMBL4284841 0.87 USP19 (0.40) USP19HCRTR1HCRTR2
SCHEMBL13705380 0.87 HCRTR1 (0.40) USP19HCRTR1HCRTR2
SCHEMBL4281614 0.86 USP19 (0.40) USP19
SCHEMBL4285554 0.86 CA1 (0.40) USP19HCRTR1HCRTR2
SCHEMBL13705388 0.86 CA1 (0.40) USP19HCRTR1HCRTR2
SCHEMBL13705374 0.86 CA1 (0.40) USP19HCRTR1HCRTR2
SCHEMBL13341800 0.86 CA1 (0.40) USP19HCRTR1HCRTR2

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 1993/4885GABRA5 1948/4885CNR2 3580/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT USP19 1993/4885GABRA5 1948/4885CNR2 3580/4885

“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.