SCHEMBL2828356

SCHEMBL2828356

CC1c2ccccc2CCN1Cc1ccc(COc2ccc(CCC(=O)OC(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
FFAR1 O14842 4/20 0.39
FFAR4 Q5NUL3 2/20 0.39
ACACB O00763 1/20 0.38
GHSR Q92847 1/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
LIPE Q05469 1/20 0.36
S1PR1 P21453 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
PRMT5 O14744 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL2828355 0.89 FFAR1 (0.50) HRH3FFAR1FFAR4S1PR1
SCHEMBL13887151 0.85 FFAR1 (0.55) HRH3FFAR1FFAR4S1PR1
SCHEMBL2827594 0.81 L3MBTL1 (0.52) HRH3FFAR1PRMT5
SCHEMBL2824720 0.80 HRH3 (0.42) HRH3LTA4HEPHX2MAOAMAOB
SCHEMBL2827682 0.78 HDAC1 (0.47) HRH3FFAR1FFAR4HDAC1HDAC2
SCHEMBL2822644 0.77 OPRM1 (0.48) HRH3FFAR1FFAR4LTA4HEPHX2
SCHEMBL2827661 0.77 HRH3 (0.42) HRH3MAOAMAOB
SCHEMBL2826434 0.77 SPHK1 (0.52) HRH3LTA4HEPHX2MAOAMAOB
SCHEMBL2824092 0.77 SPHK1 (0.52) HRH3LTA4HEPHX2MAOAMAOB
SCHEMBL2827471 0.75 HRH3 (0.44) HRH3MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 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-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 HRH3 1315/4885FFAR1 2/4885FFAR4 6/4885

“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.