SCHEMBL1744577

SCHEMBL1744577

COC(=O)CCc1ccc(OC2CCc3ccc(Br)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
TSHR P16473 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MTNR1A P48039 4/20 0.38
FFAR1 O14842 3/20 0.38
NQO2 P16083 3/20 0.37
MTNR1B P49286 3/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL1744547 0.92 IDO1 (0.41) IDO1ADRB2ADRB1TSHRHRH3
SCHEMBL1744674 0.89 FFAR1 (0.48) FFAR1
SCHEMBL1744984 0.89 MTNR1A (0.50) MTNR1ANQO2MTNR1B
SCHEMBL1745225 0.85 FFAR1 (0.52) IDO1ADRB2ADRB1HRH3FFAR1
SCHEMBL1744681 0.85 FFAR1 (0.52) IDO1ADRB2ADRB1HRH3FFAR1
SCHEMBL1744692 0.85 FFAR1 (0.52) IDO1ADRB2ADRB1HRH3FFAR1
SCHEMBL15679161 0.84 HRH3 (0.40) ADRB2ADRB1HRH3FFAR1
SCHEMBL1747248 0.83 GRIN2B (0.44) MTNR1AFFAR1
SCHEMBL1745269 0.83 KMT2A (0.46) MTNR1ANQO2MTNR1B
SCHEMBL1745539 0.82 FFAR1 (0.40) ADRB2ADRB1HRH3FFAR1

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 11 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-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
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 IDO1 3107/4885ADRB2 316/4885ADRB1 137/4885

“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.