SCHEMBL1744558

SCHEMBL1744558

COC(=O)CCc1ccc(OCc2ccc(CN(CCC(C)C)c3nc(C(C)C)cs3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
VDR P11473 2/20 0.39
PPARD Q03181 6/20 0.38
KARS1 Q15046 1/20 0.38
FFAR1 O14842 1/20 0.38
PPARG P37231 2/20 0.37
BCHE P06276 4/20 0.35
EPOR P19235 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3918687 0.91 PPARD (0.45) VDRPPARDKARS1FFAR1PPARG
SCHEMBL1746887 0.91 PPARD (0.46) PPARDFFAR1PPARG
SCHEMBL1744677 0.86 FFAR1 (0.47) VDRPPARDFFAR1PPARGMEN1
SCHEMBL3920620 0.83 PPARD (0.45) PPARDFFAR1PPARGMMP13
SCHEMBL3909663 0.83 FFAR1 (0.54) PPARDFFAR1PPARG
SCHEMBL3913755 0.79 FFAR1 (0.54) PPARDFFAR1PPARG
SCHEMBL1744725 0.78 FFAR1 (0.55) PPARDFFAR1PPARGMEN1KMT2A
SCHEMBL3917024 0.78 NPSR1 (0.53) VDRPPARDKARS1FFAR1MEN1
SCHEMBL3911613 0.77 PPARD (0.47) VDRPPARDKARS1FFAR1PPARG
SCHEMBL1745481 0.77 NPSR1 (0.47) VDRPPARDFFAR1BCHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP 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-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR ADRB2 316/4885ADRB1 137/4885VDR 117/4885

“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.