SCHEMBL10079375

SCHEMBL10079375

CO/N=C/c1ccccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ANO1 Q5XXA6 1/20 0.40
GRIN1 Q05586 3/20 0.39
GRIN2B Q13224 3/20 0.39
ALDH1A1 P00352 6/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
HPGD P15428 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 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
SCHEMBL1097227 0.83 ANO1 (0.40) ANO1GRIN1GRIN2BALDH1A1GRIN2D
SCHEMBL213165 0.80 GRIN2D (0.56) ADRA2AADRA2BADRA2CGRIN1GRIN2B
SCHEMBL213164 0.80 GRIN2D (0.56) ADRA2AADRA2BADRA2CGRIN1GRIN2B
SCHEMBL1095535 0.79 HPGD (0.56) ANO1GRIN1GRIN2BALDH1A1HPGD
SCHEMBL21222709 0.79 HPGD (0.56) ANO1GRIN1GRIN2BALDH1A1HPGD
SCHEMBL30444481 0.79 HPGD (0.56) ANO1GRIN1GRIN2BALDH1A1HPGD
SCHEMBL1095537 0.79 HPGD (0.56) ANO1GRIN1GRIN2BALDH1A1HPGD
SCHEMBL31182399 0.79 PTGES2 (0.44) ANO1GRIN1GRIN2BALDH1A1GRIN2D
SCHEMBL1046653 0.76 PTGES2 (0.40) ANO1GRIN1GRIN2BALDH1A1PTGES2
SCHEMBL6449354 0.74 ADRA2A (0.57) ADRA2AADRA2BADRA2CGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339147-B2 Lactam compound as FXR receptor agonist CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-05-24 US disclosed
US-20200190074-A1 LACTAM COMPOUND AS FXR RECEPTOR AGONIST MEDSHINE DISCOVERY INC. (CN) 2020-06-18 US disclosed
WO-2012087521-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2012-06-28 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-11339147-B2 Lactam compound as FXR receptor agonist NR1H4, GPBAR1, SLC10A1 ADRA2A 1042/4885ADRA2B 850/4885ADRA2C 986/4885
US-20200190074-A1 LACTAM COMPOUND AS FXR RECEPTOR AGONIST NR1H4, GPBAR1, SLC10A1 ADRA2A 1042/4885ADRA2B 850/4885ADRA2C 986/4885

“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.