SCHEMBL4283668

SCHEMBL4283668

COc1cccc(NCC[C@@H]2CNCCN2C(=O)c2ncn([C@@H]3CCCC[C@]3(C)O)c2-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP19 O94966 4/20 0.38
ACP1 P24666 1/20 0.35
CHKA P35790 1/20 0.35
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
TRPV1 Q8NER1 1/20 0.34
CHRNA7 P36544 2/20 0.34
SLC2A1 P11166 1/20 0.33
KCNH2 Q12809 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
SCHEMBL4290561 0.93 USP19 (0.39) USP19ACP1HCRTR1HCRTR2CHRNA7
SCHEMBL4286333 0.92 USP19 (0.37) USP19ACP1CHKAHCRTR1HCRTR2
SCHEMBL4291191 0.91 USP19 (0.38) USP19ACP1HCRTR1HCRTR2
SCHEMBL4281685 0.90 USP19 (0.38) USP19ACP1HCRTR1HCRTR2
SCHEMBL8123935 0.90 USP19 (0.36) USP19HCRTR1HCRTR2
SCHEMBL4288799 0.90 USP19 (0.36) USP19HCRTR1HCRTR2
SCHEMBL4289876 0.90 USP19 (0.37) USP19ACP1HCRTR1HCRTR2
SCHEMBL4295720 0.89 USP19 (0.36) USP19ACP1HCRTR1HCRTR2
SCHEMBL4294441 0.89 USP19 (0.36) USP19ACP1HCRTR1HCRTR2
SCHEMBL4291046 0.89 USP19 (0.38) USP19ACP1HCRTR1HCRTR2

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 4 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

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 1993/4885ACP1 3629/4885CHKA 1304/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT USP19 1993/4885ACP1 3629/4885CHKA 1304/4885

“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.