SCHEMBL4291121

SCHEMBL4291121

COc1ccc(OCC[C@@H]2CNCCN2C(=O)c2ncn([C@H]3CCCC[C@@H]3NC(=O)O)c2-c2ccccc2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.41
HCRTR2 O43614 10/20 0.41
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
DRD3 P35462 1/20 0.35
CHRM3 P20309 1/20 0.34

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
SCHEMBL13705455 0.96 HCRTR1 (0.38) HCRTR1HCRTR2NPC1RAB9ADRD3
SCHEMBL4281556 0.95 HCRTR1 (0.42) HCRTR1HCRTR2CHRM3
SCHEMBL4295567 0.93 HCRTR1 (0.37) HCRTR1HCRTR2CHRM3
SCHEMBL4287970 0.93 HCRTR1 (0.41) HCRTR1HCRTR2CHRM3
SCHEMBL4292457 0.93 HCRTR1 (0.39) HCRTR1HCRTR2CHRM3
SCHEMBL13705454 0.91 HCRTR1 (0.38) HCRTR1HCRTR2CHRM3
SCHEMBL4293877 0.90 HCRTR1 (0.42) HCRTR1HCRTR2DRD3
SCHEMBL13705452 0.90 HCRTR1 (0.38) HCRTR1HCRTR2CHRM3
SCHEMBL4284622 0.90 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL13705419 0.89 HCRTR1 (0.40) HCRTR1HCRTR2DRD3

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 3136/4885NPC1 1165/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885NPC1 1165/4885

“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.