SCHEMBL1775429

SCHEMBL1775429

C#Cc1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.49
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
HPGD P15428 1/20 0.42
STS P08842 3/20 0.41

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
SCHEMBL1775285 0.85 GPR119 (0.47) GPR119KDM4EMAPTTHRB
SCHEMBL22262887 0.84 GPR119 (0.52) GPR119KDM4EMAPTTHRBPTPN2
SCHEMBL17541701 0.83 GPR119 (0.52) GPR119KDM4EMAPTTHRBPTPN2
SCHEMBL2068875 0.83 BAZ2A (0.43) KDM4E
SCHEMBL27829485 0.82 GPR119 (0.34) GPR119
SCHEMBL14359823 0.82 GPR119 (0.52) GPR119KDM4EMAPTTHRBPTPN2
SCHEMBL3685040 0.81 GPR119 (0.49) GPR119KDM4EMAPTTHRBPTPN2
SCHEMBL1773538 0.81 FAAH (0.37)
SCHEMBL419123 0.81 GPR119 (0.51) GPR119KDM4EMAPTTHRBHPGD
SCHEMBL28788513 0.81 GPR119 (0.51) GPR119KDM4EMAPTTHRBPTPN2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 US disclosed
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 US disclosed
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 US disclosed
EP-2563786-B1 Ketoheteroarylpiperidine and piperazine derivatives as fungicides BAYER IP GMBH (DE) 2016-11-02 EP disclosed
US-9357779-B2 Ketoheteroarylpiperdine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9220266-B2 Ketoheteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-29 US disclosed
EP-2334669-B1 HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS BAYER IP GMBH (DE) 2015-12-23 EP disclosed
EP-2886534-A1 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-Tech Ueno, Ltd. (JP) 2015-06-24 EP disclosed
EP-2886534-A1 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-Tech Ueno, Ltd. (JP) 2015-06-24 EP disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 US disclosed
CN-102971314-A Ketoheteroarylpiperidine and ketoheteroarylpiperazine derivates as fungicides BAYER CROPSCIENCE AG 2013-03-13 CN disclosed
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2011-12-22 US disclosed
EP-2334669-A1 HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-06-22 EP disclosed
US-7943774-B2 Heterocyclyl-substituted thiazoles as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-17 US disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 US disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 US disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 US disclosed
US-20100137245-A1 Heteerocyclyl-substituted thiazoles as crop protection agents BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
WO-2010037479-A1 HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2010-04-08 WO disclosed
WO-2009145360-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-12-03 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 (4 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-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 GPR119 3327/4885KDM4E 1213/4885MAPT 1522/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 GPR119 3327/4885KDM4E 1213/4885MAPT 1522/4885
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, KCNH1 GPR119 1043/4885KDM4E 68/4885MAPT 2478/4885
US-20100137245-A1 Heteerocyclyl-substituted thiazoles as crop protection agents CYP8B1, CYP51A1, HPD GPR119 3388/4885KDM4E 3603/4885MAPT 3632/4885

“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.