SCHEMBL4284587

SCHEMBL4284587

O=C(O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2ccc(Cl)cc2F)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.43
HCRTR2 O43614 5/20 0.43
CNR1 P21554 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SLC6A9 P48067 2/20 0.32
CHRM3 P20309 2/20 0.32
MC2R Q01718 1/20 0.31
KCNH2 Q12809 1/20 0.31
GPR119 Q8TDV5 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
SCHEMBL13705444 0.94 HCRTR2 (0.40) HCRTR1HCRTR2CNR1CHRM3MC2R
SCHEMBL4288875 0.93 HCRTR1 (0.43) HCRTR1HCRTR2CHRM3
SCHEMBL4295398 0.92 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL4283410 0.92 HCRTR1 (0.36) HCRTR1HCRTR2CHRM3
SCHEMBL4287970 0.91 HCRTR1 (0.41) HCRTR1HCRTR2SLC6A9CHRM3
SCHEMBL4281285 0.89 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL4295567 0.89 HCRTR1 (0.37) HCRTR1HCRTR2CHRM3
SCHEMBL4287699 0.89 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL4285143 0.89 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL4288773 0.88 HCRTR1 (0.42) HCRTR1HCRTR2CHRM3

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 3136/4885CNR1 3488/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CNR1 3488/4885

“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.