SCHEMBL4065175

SCHEMBL4065175

FC(F)(F)Oc1cc(Cl)cc(CBr)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.43
FFAR4 Q5NUL3 3/20 0.40
NOTUM Q6P988 1/20 0.39
TRPV1 Q8NER1 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CETP P11597 1/20 0.34
CNR1 P21554 1/20 0.34
DDR1 Q08345 3/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PTGER4 P35408 1/20 0.32
PTGDR Q13258 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
RAPGEF3 O95398 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
SCHEMBL8198914 0.83 GRIN2B (0.44) GRIN2BFFAR4NOTUMTRPV1HDAC3
SCHEMBL8218177 0.81 GRIN2B (0.43) GRIN2BFFAR4NOTUMTRPV1HDAC3
SCHEMBL28195942 0.81 GRIN2B (0.43) GRIN2BFFAR4NOTUMTRPV1HDAC3
SCHEMBL16960474 0.81 GRIN2B (0.43) GRIN2BFFAR4NOTUMTRPV1HDAC3
SCHEMBL8254280 0.81 GRIN2B (0.47) GRIN2BFFAR4NOTUMTRPV1HDAC3
SCHEMBL3161791 0.81 GRIN2B (0.47) GRIN2BFFAR4NOTUMTRPV1HDAC3
Hydrochloric Acid SCHEMBL18741162 0.80 GRIN2B (0.46) GRIN2BFFAR4NOTUMTRPV1HDAC3
SCHEMBL1921486 0.80 NOTUM (0.47) GRIN2BFFAR4NOTUMHDAC3HDAC1
SCHEMBL10980628 0.79 FFAR4 (0.39) FFAR4CETPHCRTR1HCRTR2
SCHEMBL22090574 0.79 CETP (0.35) GRIN2BFFAR4CETPALDH1A1TSHR

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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
EP-2794576-A1 NON-SYSTEMIC TGR5 AGONISTS Ardelyx, Inc. (US) 2014-10-29 EP disclosed
EP-2049517-B1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2013-11-27 EP disclosed
WO-2013096771-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2013-06-27 WO disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US 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-20090286790-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 GRIN2B 4138/4885FFAR4 390/4885NOTUM 111/4885
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR GRIN2B 992/4885FFAR4 51/4885NOTUM 2964/4885

“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.