SCHEMBL4281902

SCHEMBL4281902

Cc1nc2c(F)c(OCC[C@@H]3CNCCN3C(=O)c3ncn([C@@H]4CCCC[C@]4(C)O)c3-c3ccccc3)ccc2o1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.38
HCRTR2 O43614 7/20 0.38
USP19 O94966 7/20 0.33
TSPO P30536 1/20 0.31
OPRK1 P41145 1/20 0.31
HTR2B P41595 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL4286934 0.94 HCRTR1 (0.35) HCRTR1HCRTR2USP19
SCHEMBL4285083 0.93 HCRTR1 (0.36) HCRTR1HCRTR2USP19TSPOOPRK1
SCHEMBL4292682 0.92 HCRTR1 (0.36) HCRTR1HCRTR2USP19
SCHEMBL4284087 0.91 HCRTR1 (0.37) HCRTR1HCRTR2USP19TSPOOPRK1
SCHEMBL4285615 0.88 HCRTR1 (0.34) HCRTR1HCRTR2USP19
SCHEMBL4288719 0.87 HCRTR1 (0.42) HCRTR1HCRTR2USP19TSPOOPRK1
SCHEMBL4287507 0.87 HCRTR1 (0.39) HCRTR1HCRTR2USP19
SCHEMBL4295236 0.87 HCRTR1 (0.35) HCRTR1HCRTR2USP19
SCHEMBL4287278 0.87 USP19 (0.34) HCRTR1HCRTR2USP19
SCHEMBL8114774 0.86 HCRTR1 (0.38) HCRTR1HCRTR2USP19TSPOOPRK1

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

“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.