SCHEMBL13705263

SCHEMBL13705263

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CCOc2cccc(C(F)(F)F)n2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.36
IDH2 P48735 1/20 0.35
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
ABHD6 Q9BV23 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32
BCHE P06276 2/20 0.32
HTR6 P50406 2/20 0.32
HTR1A P08908 1/20 0.32
HPGDS O60760 2/20 0.31
USP30 Q70CQ3 2/20 0.31
BACE1 P56817 2/20 0.31
ACKR3 P25106 1/20 0.31
CTSD P07339 1/20 0.31
APLNR P35414 1/20 0.31
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
PRMT5 O14744 2/20 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
SCHEMBL4287359 0.94 HCRTR2 (0.34) HCRTR1HCRTR2HTR1A
SCHEMBL13705262 0.90 HPGDS (0.33) HCRTR1HCRTR2ABHD6DAGLAHPGDS
SCHEMBL13705264 0.89 SYK (0.33) HCRTR1HCRTR2ABHD6DAGLAHTR1A
SCHEMBL13705267 0.89 HCRTR1 (0.35) HCRTR1HCRTR2ABHD6DAGLAHPGDS
SCHEMBL13705261 0.88 HPGDS (0.34) HCRTR1HCRTR2ABHD6DAGLAHPGDS
SCHEMBL13705258 0.88 IDH1 (0.34) IDH1IDH2ABHD6DAGLAHPGDS
SCHEMBL13705259 0.88 IDH1 (0.34) IDH1IDH2ABHD6DAGLAHPGDS
SCHEMBL13705265 0.88 SSTR4 (0.33) ABHD6DAGLA
SCHEMBL13705254 0.87 HPGDS (0.36) HCRTR1HCRTR2HPGDSUSP30BACE1
SCHEMBL13705256 0.87 EGFR (0.35) ABHD6DAGLAHPGDSUSP30BACE1

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 IDH1 112/4885IDH2 155/4885HCRTR1 3147/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT IDH1 112/4885IDH2 155/4885HCRTR1 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.