SCHEMBL13705477

SCHEMBL13705477

COC(=O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2c(F)cccc2F)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 11/20 0.39
HCRTR1 O43613 6/20 0.39
TSPO P30536 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
REN P00797 1/20 0.31
USP19 O94966 1/20 0.31
CHRM3 P20309 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL4295796 0.95 HCRTR2 (0.40) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL8118892 0.90 HCRTR1 (0.42) HCRTR2HCRTR1USP19CHRM3
SCHEMBL13705418 0.90 HCRTR1 (0.42) HCRTR2HCRTR1USP19CHRM3
SCHEMBL13705482 0.90 HCRTR1 (0.39) HCRTR2HCRTR1USP19
SCHEMBL13705463 0.90 HCRTR1 (0.43) HCRTR2HCRTR1USP19CHRM3
SCHEMBL13705404 0.89 HCRTR2 (0.36) HCRTR2HCRTR1OPRK1
SCHEMBL13705411 0.89 HCRTR1 (0.43) HCRTR2HCRTR1USP19CHRM3
SCHEMBL8124697 0.89 HCRTR1 (0.43) HCRTR2HCRTR1USP19CHRM3
SCHEMBL13705478 0.88 HCRTR1 (0.44) HCRTR2HCRTR1CHRM3
SCHEMBL4295398 0.88 HCRTR1 (0.42) HCRTR2HCRTR1TSPOOPRK1HTR2B

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 HCRTR2 3136/4885HCRTR1 3147/4885TSPO 2092/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR2 3136/4885HCRTR1 3147/4885TSPO 2092/4885

“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.