SCHEMBL6035150

SCHEMBL6035150

CC(C)c1nn(-c2cccc(C(F)(F)F)n2)cc1CCCO

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.37
IRAK4 Q9NWZ3 5/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DRD2 P14416 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
ADRB1 P08588 1/20 0.32
GRIN2B Q13224 2/20 0.31
NOTUM Q6P988 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
SCHEMBL6034304 0.83 OGA (0.31) NOTUM
SCHEMBL6035870 0.80 SYK (0.40) ACACBHRH3OPRM1
SCHEMBL6034887 0.77 CNR1 (0.37) ACACBHRH3
SCHEMBL6311770 0.77 ACACB (0.34) ACACBIRAK4HRH3
SCHEMBL6035887 0.77 PPARG (0.43) ACACBIRAK4HRH3
SCHEMBL6035729 0.76 NPSR1 (0.42) ACACBHRH3ADRB1
SCHEMBL6034578 0.76 TLR8 (0.44) NOTUM
SCHEMBL6035835 0.74 HSD11B1 (0.36) HRH3
SCHEMBL6035102 0.74 CNR1 (0.37) ACACBHRH3
SCHEMBL6036226 0.74 ACACB (0.32) ACACB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO 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 (1 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 ACACB 1024/4885IRAK4 1121/4885HRH3 1083/4885

“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.