SCHEMBL4288799

SCHEMBL4288799

COc1ccc(NCC[C@@H]2CNCCN2C(=O)c2ncn([C@@H]3CCCC[C@]3(C)O)c2-c2ccccc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP19 O94966 5/20 0.36
KDM1A O60341 5/20 0.34
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
FFAR1 O14842 1/20 0.33
ICMT O60725 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 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
SCHEMBL8123935 1.00 USP19 (0.36) USP19KDM1AHCRTR1HCRTR2FFAR1
Hydrochloric Acid SCHEMBL4292420 0.91 USP19 (0.34) USP19KDM1AHCRTR1HCRTR2FFAR1
SCHEMBL4290561 0.90 USP19 (0.39) USP19HCRTR1HCRTR2
SCHEMBL4291046 0.90 USP19 (0.38) USP19HCRTR1HCRTR2
SCHEMBL4283668 0.90 USP19 (0.38) USP19HCRTR1HCRTR2
SCHEMBL4295720 0.89 USP19 (0.36) USP19HCRTR1HCRTR2
SCHEMBL4294441 0.89 USP19 (0.36) USP19HCRTR1HCRTR2
SCHEMBL4292757 0.89 HCRTR1 (0.35) USP19HCRTR1HCRTR2
SCHEMBL4291191 0.88 USP19 (0.38) USP19HCRTR1HCRTR2
SCHEMBL4287597 0.88 USP19 (0.35) 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-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 1993/4885KDM1A 661/4885HCRTR1 3147/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT USP19 1993/4885KDM1A 661/4885HCRTR1 3147/4885

“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.