SCHEMBL4289378

SCHEMBL4289378

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2cccc(C(=O)OC(=O)C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.35
HCRTR2 O43614 5/20 0.35
USP19 O94966 6/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
CHEK2 O96017 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
SCHEMBL4286348 0.93 HCRTR1 (0.39) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4283819 0.93 HCRTR1 (0.37) HCRTR1HCRTR2USP19NPC1RAB9A
Trifluoroacetic Acid SCHEMBL4289374 0.93 HCRTR1 (0.36) HCRTR1HCRTR2USP19NPC1RAB9A
SCHEMBL13705381 0.92 HCRTR1 (0.38) HCRTR1HCRTR2USP19NPC1RAB9A
SCHEMBL4284595 0.92 NPC1 (0.41) HCRTR1HCRTR2USP19NPC1RAB9A
SCHEMBL4295402 0.90 HCRTR1 (0.40) HCRTR1HCRTR2USP19NPC1RAB9A
SCHEMBL4281482 0.90 HCRTR1 (0.39) HCRTR1HCRTR2USP19ALDH1A1
SCHEMBL4290851 0.90 USP19 (0.37) HCRTR1HCRTR2USP19NPC1RAB9A
SCHEMBL4287621 0.90 HCRTR1 (0.41) HCRTR1HCRTR2USP19NPC1RAB9A
SCHEMBL4288893 0.89 USP19 (0.36) HCRTR1HCRTR2USP19NPC1RAB9A

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.