SCHEMBL4283618

SCHEMBL4283618

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)O)C[C@H]2CCOC(=O)Nc2ccccc2)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.34
BCHE P06276 3/20 0.33
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
ACHE P22303 1/20 0.32
MAOB P27338 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL13705307 0.93 USP30 (0.34) CHRM3BCHEHCRTR1HCRTR2
SCHEMBL4282962 0.91 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL4286693 0.91 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL4296784 0.89 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL4285677 0.89 HCRTR1 (0.39) CHRM3HCRTR1HCRTR2
SCHEMBL4284990 0.88 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL4296767 0.88 HCRTR1 (0.34) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL4289048 0.88 USP19 (0.35) CHRM3HCRTR1HCRTR2TSHRHTT
SCHEMBL4281791 0.87 HCRTR2 (0.33) HCRTR1HCRTR2
SCHEMBL4297031 0.87 HCRTR1 (0.39) 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 CHRM3 3197/4885BCHE 997/4885HCRTR1 3147/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CHRM3 3197/4885BCHE 997/4885HCRTR1 3147/4885

“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.