SCHEMBL13705261

SCHEMBL13705261

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CCOc2ncccn2)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.34
USP30 Q70CQ3 4/20 0.33
ROCK2 O75116 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
BACE1 P56817 2/20 0.32
ACKR3 P25106 1/20 0.32
CTSD P07339 1/20 0.32
APLNR P35414 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
PRMT5 O14744 2/20 0.32
PARP1 P09874 1/20 0.31
SCD5 Q86SK9 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
SCHEMBL13705262 0.94 HPGDS (0.33) HPGDSUSP30ROCK2HCRTR1HCRTR2
SCHEMBL4296767 0.93 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL13705254 0.92 HPGDS (0.36) HPGDSUSP30HCRTR1HCRTR2BACE1
SCHEMBL13705256 0.91 EGFR (0.35) HPGDSUSP30ROCK2BACE1ACKR3
SCHEMBL13705306 0.91 HPGDS (0.35) HPGDSUSP30HCRTR1HCRTR2BACE1
SCHEMBL13705265 0.91 SSTR4 (0.33) ABHD6DAGLA
SCHEMBL13705264 0.89 SYK (0.33) HPGDSUSP30ROCK2HCRTR1HCRTR2
SCHEMBL13705145 0.89 ABHD6 (0.42) HPGDSUSP30ABHD6DAGLAEGFR
SCHEMBL13705315 0.89 USP30 (0.36) HPGDSUSP30ACKR3APLNRABHD6
SCHEMBL13705307 0.89 USP30 (0.34) HPGDSUSP30HCRTR1HCRTR2ACKR3

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 3 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

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 HPGDS 1198/4885USP30 3128/4885ROCK2 792/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HPGDS 1198/4885USP30 3128/4885ROCK2 792/4885

“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.