SCHEMBL4287181

SCHEMBL4287181

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)O)C[C@H]2CCOc2cccc(C(=O)OC)c2)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.37
HCRTR2 O43614 5/20 0.37
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
MGLL Q99685 1/20 0.31
CHEK2 O96017 1/20 0.31
OPRD1 P41143 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL4282753 0.93 HCRTR1 (0.38) HCRTR1HCRTR2CPT2CPT1ARAB9A
SCHEMBL13705165 0.93 HCRTR1 (0.35) HCRTR1HCRTR2CPT2CPT1ARAB9A
SCHEMBL4285677 0.92 HCRTR1 (0.39) HCRTR1HCRTR2RAB9ANPC1ALDH1A1
SCHEMBL4290997 0.89 HTR7 (0.34) CPT2CPT1AOPRD1
SCHEMBL4283819 0.89 HCRTR1 (0.37) HCRTR1HCRTR2CPT2CPT1ARAB9A
SCHEMBL4281981 0.88 HCRTR1 (0.38) HCRTR1HCRTR2NPC1ALDH1A1CHEK2
SCHEMBL4285267 0.88 HCRTR1 (0.36) HCRTR1HCRTR2ALDH1A1
SCHEMBL4296767 0.87 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL4289023 0.87 HCRTR1 (0.36) HCRTR1HCRTR2RAB9ANPC1ALDH1A1
SCHEMBL4289721 0.87 HCRTR1 (0.37) HCRTR1HCRTR2CHEK2

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 3136/4885CPT2 4179/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CPT2 4179/4885

“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.