SCHEMBL12098002

SCHEMBL12098002

CC(C)Oc1ncccc1B(O)OC(C)(C)C(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.39
FFAR4 Q5NUL3 1/20 0.36
HCRTR2 O43614 10/20 0.34
HCRTR1 O43613 8/20 0.34
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP3A5 P20815 1/20 0.32
TYK2 P29597 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL14334896 0.85 SLC13A5 (0.35) SLC13A5
SCHEMBL1890438 0.79 SLC13A5 (0.41) SLC13A5FFAR4HCRTR2HCRTR1ALOX5AP
SCHEMBL456250 0.79 P2RX7 (0.31)
SCHEMBL1694862 0.77 NOS3 (0.37)
SCHEMBL15637783 0.77 POLB (0.36)
SCHEMBL2704513 0.77 TRIM24 (0.34)
SCHEMBL24310773 0.76 SLC13A5 (0.39) SLC13A5FFAR4HCRTR2HCRTR1ALOX5AP
SCHEMBL15533151 0.75 SSTR4 (0.32) HCRTR2HCRTR1
SCHEMBL15533093 0.75 CHRM2 (0.31)
SCHEMBL2369300 0.75 L3MBTL1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385022-B2 3-amino-pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2019-08-20 US disclosed
US-20150152058-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS HOFFMANN-LA ROCHE INC. 2015-06-04 US disclosed
EP-2681194-B1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed
US-8987307-B2 3-amino-pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2015-03-24 US disclosed
EP-2681194-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-08 EP disclosed
US-20120232051-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS HOFFMANN-LA ROCHE INC. 2012-09-13 US disclosed
WO-2012117000-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-07 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 (3 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-10385022-B2 3-amino-pyridines as GPBAR1 agonists GPBAR1, ADRA1B, GPR119 SLC13A5 905/4885FFAR4 191/4885HCRTR2 766/4885
US-20120232051-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS GPBAR1, ADRA1B, GPR119 SLC13A5 905/4885FFAR4 191/4885HCRTR2 766/4885
US-20150152058-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS GPBAR1, ADRA1B, GPR119 SLC13A5 905/4885FFAR4 191/4885HCRTR2 766/4885

“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.