SCHEMBL2240680

SCHEMBL2240680

O=C(O)CC(c1ccc(OCCOc2ccc(C(F)(F)F)cc2)cc1)c1ccon1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 19/20 0.65
CHRM5 P08912 1/20 0.65
SLC6A3 Q01959 1/20 0.65
PPARG P37231 1/20 0.45
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2240672 1.00 FFAR1 (0.65) FFAR1CHRM5SLC6A3PPARGPOLB
SCHEMBL12348769 0.97 FFAR1 (0.64) FFAR1CHRM5SLC6A3PPARGPOLB
SCHEMBL12348774 0.97 FFAR1 (0.64) FFAR1CHRM5SLC6A3PPARGPOLB
SCHEMBL2246583 0.87 FFAR1 (0.61) FFAR1CHRM5SLC6A3PPARG
SCHEMBL2246575 0.87 FFAR1 (0.61) FFAR1CHRM5SLC6A3PPARG
SCHEMBL2246573 0.87 FFAR1 (0.61) FFAR1CHRM5SLC6A3PPARG
SCHEMBL2242722 0.85 FFAR1 (0.59) FFAR1CHRM5SLC6A3PPARG
SCHEMBL2242726 0.85 FFAR1 (0.59) FFAR1CHRM5SLC6A3PPARG
SCHEMBL2242733 0.85 FFAR1 (0.59) FFAR1CHRM5SLC6A3PPARG
SCHEMBL2242590 0.83 FFAR1 (0.69) FFAR1CHRM5SLC6A3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
EP-2064193-A1 HETEROCYCLIC GPR40 MODULATORS Amgen, Inc (US) 2009-06-03 EP disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 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 (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-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 FFAR1 25/4885CHRM5 308/4885SLC6A3 3204/4885
US-20080090840-A1 Heterocyclic GPR40 Modulators GPR119, GPR55, GPR65 FFAR1 25/4885CHRM5 308/4885SLC6A3 3204/4885

“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.