SCHEMBL4288893

SCHEMBL4288893

COCCCOc1cccc(OCC[C@@H]2CNCCN2C(=O)c2ncn([C@@H]3CCCC[C@@]3(O)COC)c2-c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP19 O94966 6/20 0.36
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
REN P00797 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HRH3 Q9Y5N1 4/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4290851 0.97 USP19 (0.37) USP19HCRTR1HCRTR2RENNPC1
SCHEMBL4281482 0.95 HCRTR1 (0.39) USP19HCRTR1HCRTR2HRH3ALDH1A1
SCHEMBL4287621 0.94 HCRTR1 (0.41) USP19HCRTR1HCRTR2NPC1RAB9A
Hydrochloric Acid SCHEMBL4282670 0.93 HCRTR1 (0.40) USP19HCRTR1HCRTR2
SCHEMBL4295402 0.93 HCRTR1 (0.40) USP19HCRTR1HCRTR2NPC1RAB9A
SCHEMBL4281493 0.93 KDM4E (0.37) USP19HCRTR1HCRTR2HRH3ALDH1A1
SCHEMBL13705381 0.93 HCRTR1 (0.38) USP19HCRTR1HCRTR2NPC1RAB9A
Hydrochloric Acid SCHEMBL4286716 0.92 HCRTR1 (0.36) USP19HCRTR1HCRTR2NPC1RAB9A
SCHEMBL4284595 0.92 NPC1 (0.41) USP19HCRTR1HCRTR2NPC1RAB9A
SCHEMBL4283362 0.92 USP19 (0.37) USP19HCRTR1HCRTR2RENNPC1

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 1993/4885HCRTR1 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.