SCHEMBL4288875

SCHEMBL4288875

Cc1ccc(OCC[C@@H]2CNCCN2C(=O)c2ncn([C@H]3CCCC[C@@H]3NC(=O)O)c2-c2ccccc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.43
HCRTR2 O43614 14/20 0.43
CYP3A4 P08684 1/20 0.33
CHRM3 P20309 1/20 0.33
KDM1A O60341 4/20 0.32
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
SCHEMBL13705481 0.95 HCRTR1 (0.40) HCRTR1HCRTR2CYP3A4CHRM3
SCHEMBL4284587 0.93 HCRTR1 (0.43) HCRTR1HCRTR2CHRM3
SCHEMBL4287970 0.93 HCRTR1 (0.41) HCRTR1HCRTR2CHRM3
SCHEMBL4295398 0.92 HCRTR1 (0.42) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL4295567 0.92 HCRTR1 (0.37) HCRTR1HCRTR2CHRM3
SCHEMBL13705444 0.89 HCRTR2 (0.40) HCRTR1HCRTR2CHRM3
SCHEMBL4292999 0.89 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL4281562 0.88 HCRTR1 (0.44) HCRTR1HCRTR2CHRM3KDM1A
SCHEMBL4295796 0.88 HCRTR2 (0.40) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL4281702 0.88 HCRTR1 (0.41) HCRTR1HCRTR2

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 2 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-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 3136/4885CYP3A4 50/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CYP3A4 50/4885

“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.