SCHEMBL1661679

SCHEMBL1661679

CC(=O)C1CCC(F)(F)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
GRM2 Q14416 2/20 0.32
GRM3 Q14832 2/20 0.32
GRM4 Q14833 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
LMNA P02545 1/20 0.32
GRM5 P41594 1/20 0.32
MTOR P42345 1/20 0.32
GRM1 Q13255 1/20 0.32
PLCB1 Q9NQ66 1/20 0.32
TSHR P16473 1/20 0.32
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 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
SCHEMBL17972856 0.87 CYP1A2 (0.35) EPHX2CYP1A2
SCHEMBL1661736 0.86 EPHX2 (0.42) EPHX2GRM2GRM3GRM4CYP1A2
SCHEMBL27685559 0.81 GRM2 (0.34) EPHX2GRM2GRM3GRM4CYP1A2
SCHEMBL17037045 0.81 CHRNB2 (0.37) EPHX2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL12017806 0.80
SCHEMBL16577412 0.79 TSHR (0.52) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL9893214 0.79 TSHR (0.52) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL9893343 0.79 TSHR (0.52) GRM2GRM3GRM4CYP1A2ALOX15
SCHEMBL20221354 0.79 GRM2 (0.33) EPHX2GRM2GRM3GRM4CYP1A2
SCHEMBL12881678 0.78 KCNQ3 (0.33) EPHX2GRM2GRM3GRM4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189836-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2019-01-29 US disclosed
EP-3114123-B1 ISOTHIAZOLE DERIVATIVES AS GPR120 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2018-04-25 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
WO-2017103188-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-22 WO disclosed
US-20170057984-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE NEWGEN THERAPEUTICS INC (US) 2017-03-02 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed
WO-2005121089-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 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 (8 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-10189836-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 EPHX2 1440/4885GRM2 1414/4885GRM3 1270/4885
US-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 EPHX2 4284/4885GRM2 4675/4885GRM3 4207/4885
US-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 EPHX2 1074/4885GRM2 598/4885GRM3 480/4885
US-20170057984-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP11 EPHX2 2935/4885GRM2 3863/4885GRM3 3956/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 EPHX2 4284/4885GRM2 4675/4885GRM3 4207/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 EPHX2 4284/4885GRM2 4675/4885GRM3 4207/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 EPHX2 4284/4885GRM2 4675/4885GRM3 4207/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS EPHX2 4019/4885GRM2 4504/4885GRM3 3934/4885

“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.