SCHEMBL4289988

SCHEMBL4289988

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)O)C[C@H]2CCOc2ccc(C(=O)NCC(F)(F)F)cc2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SCN9A Q15858 3/20 0.31
CHEK2 O96017 1/20 0.31
P2RY12 Q9H244 1/20 0.31
USP19 O94966 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
SCHEMBL13705275 0.93 HCRTR1 (0.34) HCRTR1HCRTR2NPC1GAARAB9A
SCHEMBL4289023 0.90 HCRTR1 (0.36) HCRTR1HCRTR2NPC1RAB9ACHEK2
SCHEMBL4282753 0.90 HCRTR1 (0.38) HCRTR1HCRTR2RAB9ACHEK2
SCHEMBL4285677 0.90 HCRTR1 (0.39) HCRTR1HCRTR2NPC1RAB9ACHEK2
SCHEMBL4283691 0.89 HCRTR1 (0.38) HCRTR1HCRTR2CHEK2P2RY12USP19
SCHEMBL4281981 0.89 HCRTR1 (0.38) HCRTR1HCRTR2NPC1CHEK2
SCHEMBL4289721 0.88 HCRTR1 (0.37) HCRTR1HCRTR2SCN9ACHEK2USP19
SCHEMBL4296862 0.86 HCRTR1 (0.35) HCRTR1HCRTR2SCN9A
SCHEMBL4287181 0.85 HCRTR1 (0.37) HCRTR1HCRTR2NPC1RAB9ACHEK2
SCHEMBL4293624 0.85 HCRTR1 (0.37) HCRTR1HCRTR2NPC1GAARAB9A

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.