SCHEMBL4287597

SCHEMBL4287597

COc1cc(C)ccc1NCC[C@@H]1CNCCN1C(=O)c1ncn([C@@H]2CCCC[C@]2(C)O)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP19 O94966 4/20 0.35
HCRTR1 O43613 7/20 0.34
HCRTR2 O43614 7/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ACP1 P24666 3/20 0.32
LPAR1 Q92633 2/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM3 P20309 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
SCHEMBL4292757 0.95 HCRTR1 (0.35) USP19HCRTR1HCRTR2ACP1
SCHEMBL4295720 0.94 USP19 (0.36) USP19HCRTR1HCRTR2ACP1
SCHEMBL4291046 0.93 USP19 (0.38) USP19HCRTR1HCRTR2ACP1
SCHEMBL4291261 0.92 USP19 (0.35) USP19HCRTR1HCRTR2NPC1RAB9A
SCHEMBL4283639 0.91 HCRTR1 (0.35) USP19HCRTR1HCRTR2ACP1
SCHEMBL4281685 0.90 USP19 (0.38) USP19HCRTR1HCRTR2ACP1
SCHEMBL4289876 0.89 USP19 (0.37) USP19HCRTR1HCRTR2ACP1CHRM3
SCHEMBL4294441 0.89 USP19 (0.36) USP19HCRTR1HCRTR2ACP1
SCHEMBL4291112 0.89 USP19 (0.33) USP19HCRTR1HCRTR2ACP1
SCHEMBL4291191 0.89 USP19 (0.38) USP19HCRTR1HCRTR2ACP1

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 1993/4885HCRTR1 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.