SCHEMBL2241600

SCHEMBL2241600

CC(COc1ccc(C(CC(=O)N2C(=O)OCC2Cc2ccccc2)c2ccon2)cc1)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.43
CHRM5 P08912 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CACNA1A O00555 2/20 0.36
CACNA2D1 P54289 2/20 0.36
CACNB1 Q02641 2/20 0.36
CYP2D6 P10635 2/20 0.35
FAAH O00519 1/20 0.34
IDH1 O75874 5/20 0.34
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN1A P35498 2/20 0.33
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
NAMPT P43490 1/20 0.32

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
SCHEMBL2241595 1.00 FFAR1 (0.43) FFAR1CHRM5SLC6A3CACNA1ACACNA2D1
SCHEMBL2241598 1.00 FFAR1 (0.43) FFAR1CHRM5SLC6A3CACNA1ACACNA2D1
SCHEMBL2238915 0.92 FFAR1 (0.43) FFAR1CHRM5SLC6A3CACNA1ACACNA2D1
SCHEMBL2238910 0.92 FFAR1 (0.43) FFAR1CHRM5SLC6A3CACNA1ACACNA2D1
SCHEMBL2238916 0.92 FFAR1 (0.43) FFAR1CHRM5SLC6A3CACNA1ACACNA2D1
SCHEMBL2242054 0.91 FFAR1 (0.45) FFAR1CHRM5SLC6A3CACNA1ACACNA2D1
SCHEMBL2242059 0.91 FFAR1 (0.45) FFAR1CHRM5SLC6A3CACNA1ACACNA2D1
SCHEMBL12348773 0.90 FFAR1 (0.45) FFAR1CHRM5SLC6A3CACNA1ACACNA2D1
SCHEMBL12348767 0.90 FFAR1 (0.45) FFAR1CHRM5SLC6A3CACNA1ACACNA2D1
SCHEMBL2242117 0.86 FFAR1 (0.41) FFAR1CHRM5SLC6A3FAAHIDH1

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.