SCHEMBL4287970

SCHEMBL4287970

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.41
HCRTR2 O43614 11/20 0.41
USP19 O94966 1/20 0.34
CHRM3 P20309 1/20 0.33
SLC6A9 P48067 1/20 0.33
EED O75530 1/20 0.33
FFAR1 O14842 1/20 0.33
PPARD Q03181 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL4291121 0.93 HCRTR1 (0.41) HCRTR1HCRTR2CHRM3
SCHEMBL4288875 0.93 HCRTR1 (0.43) HCRTR1HCRTR2CHRM3
SCHEMBL4292457 0.92 HCRTR1 (0.39) HCRTR1HCRTR2USP19CHRM3CHRNA7
SCHEMBL4284587 0.91 HCRTR1 (0.43) HCRTR1HCRTR2CHRM3SLC6A9
SCHEMBL4281556 0.91 HCRTR1 (0.42) HCRTR1HCRTR2USP19CHRM3CHRNA7
SCHEMBL4281562 0.91 HCRTR1 (0.44) HCRTR1HCRTR2USP19CHRM3FFAR1
SCHEMBL4295398 0.90 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL13705455 0.90 HCRTR1 (0.38) HCRTR1HCRTR2CHRM3
SCHEMBL4287699 0.90 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL13705452 0.90 HCRTR1 (0.38) HCRTR1HCRTR2USP19CHRM3CHRNA7

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 3136/4885USP19 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.