SCHEMBL2588098

SCHEMBL2588098

CON=C(CC1CCCCC1)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.44
GLS O94925 2/20 0.39
F2RL3 Q96RI0 1/20 0.39
EPHX1 P07099 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.36
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36
PDE4B Q07343 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL15312974 1.00 GPR119 (0.44) GPR119GLSF2RL3EPHX1KDM4E
SCHEMBL2595508 0.87 GPR119 (0.47) GPR119GLSF2RL3EPHX1KDM4E
SCHEMBL2588101 0.80
SCHEMBL1043606 0.78 HPGD (0.49) GPR119EPHX1KDM4EMAPTTHRB
SCHEMBL1045133 0.78 GPR119 (0.51) GPR119
SCHEMBL31705138 0.78 EED (0.50) GPR119KDM4EMAPTTHRBEED
SCHEMBL419123 0.78 GPR119 (0.51) GPR119KDM4EMAPTTHRBHPGD
SCHEMBL28788513 0.78 GPR119 (0.51) GPR119KDM4EMAPTTHRBHPGD
SCHEMBL1774510 0.78 GPR119 (0.51) GPR119KDM4EMAPTTHRBHPGD
SCHEMBL1120132 0.78 GPR119 (0.47) GPR119EPHX1KDM4EMAPTTHRB

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
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
US-20130274292-A1 Ketoheteroarylpiperdine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-10-17 US disclosed
EP-2563786-A1 KETOHETEROARYLPIPERIDINE AND KETOHETEROARYLPIPERAZINE DERIVATES AS FUNGICIDES Bayer CropScience AG (DE) 2013-03-06 EP disclosed
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2011-12-22 US disclosed
WO-2011134969-A1 KETOHETEROARYLPIPERIDINE AND KETOHETEROARYLPIPERAZINE DERIVATES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-11-03 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 (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-20130274292-A1 Ketoheteroarylpiperdine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, CYP1A1 GPR119 355/4885GLS 675/4885F2RL3 3326/4885
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, KCNH1 GPR119 1043/4885GLS 488/4885F2RL3 3816/4885

“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.