SCHEMBL4293902

SCHEMBL4293902

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2ccc3cc(C)oc3c2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.38
HCRTR2 O43614 7/20 0.38
USP19 O94966 3/20 0.34
MAOB P27338 3/20 0.32
CHEK2 O96017 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
ABCB1 P08183 1/20 0.30

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
SCHEMBL4282038 0.96 HCRTR1 (0.38) HCRTR1HCRTR2USP19CHEK2PPARG
SCHEMBL4286361 0.91 HCRTR2 (0.38) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4281825 0.91 HCRTR1 (0.38) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4293379 0.90 HCRTR1 (0.37) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4287922 0.89 HCRTR1 (0.42) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4287621 0.89 HCRTR1 (0.41) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4283836 0.89 HCRTR1 (0.38) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4297248 0.89 HCRTR1 (0.36) HCRTR1HCRTR2USP19PPARGPPARA
SCHEMBL4284952 0.89 NPC1 (0.37) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4281829 0.89 HCRTR1 (0.41) HCRTR1HCRTR2USP19CHEK2

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 6 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-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
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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.