SCHEMBL4292374

SCHEMBL4292374

COc1c(F)cccc1NCC[C@@H]1CNCCN1C(=O)c1ncn([C@@H]2CCCC[C@]2(C)O)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.34
USP19 O94966 4/20 0.33
HCRTR1 O43613 4/20 0.33
ACP1 P24666 6/20 0.32
GSK3B P49841 1/20 0.31
OPRK1 P41145 1/20 0.30

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
SCHEMBL4285886 0.93 HCRTR1 (0.34) HCRTR2USP19HCRTR1ACP1OPRK1
SCHEMBL4292422 0.92 USP19 (0.34) HCRTR2USP19HCRTR1ACP1
SCHEMBL4294441 0.91 USP19 (0.36) HCRTR2USP19HCRTR1ACP1
SCHEMBL4295720 0.90 USP19 (0.36) HCRTR2USP19HCRTR1ACP1
SCHEMBL4291191 0.89 USP19 (0.38) HCRTR2USP19HCRTR1ACP1
SCHEMBL4283639 0.89 HCRTR1 (0.35) HCRTR2USP19HCRTR1ACP1
SCHEMBL4291046 0.89 USP19 (0.38) HCRTR2USP19HCRTR1ACP1
SCHEMBL4291112 0.88 USP19 (0.33) HCRTR2USP19HCRTR1ACP1
SCHEMBL4290561 0.88 USP19 (0.39) HCRTR2USP19HCRTR1ACP1
SCHEMBL4292757 0.87 HCRTR1 (0.35) HCRTR2USP19HCRTR1ACP1

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 HCRTR2 3136/4885USP19 1993/4885HCRTR1 3147/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR2 3136/4885USP19 1993/4885HCRTR1 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.