SCHEMBL439486

SCHEMBL439486

CC(C)(C)OC(=O)N1CCC(c2cccc(C(=O)O)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PRMT5 O14744 2/20 0.48
TRPV3 Q8NET8 1/20 0.48
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 3/20 0.47
THRB P10828 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
CRHBP P24387 1/20 0.47
HTT P42858 1/20 0.47
CRHR2 Q13324 1/20 0.47
HPGDS O60760 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL17837389 0.90 GPR119 (0.50) GPR119PRMT5TRPV3KDM4ETHRB
SCHEMBL3466225 0.90 GPR119 (0.48) GPR119PRMT5TRPV3KDM4ETHRB
SCHEMBL1557415 0.88 TRPV3 (0.48) GPR119MEN1KMT2ATRPV3KDM4E
SCHEMBL3466672 0.88 KDM4E (0.46) GPR119KDM4ETSHRHPGDS
SCHEMBL9962301 0.87 USP30 (0.50) GPR119PRMT5TRPV3HPGDS
SCHEMBL31186042 0.85 TP53 (0.54) GPR119MEN1KMT2APRMT5TRPV3
SCHEMBL439343 0.85 TP53 (0.54) GPR119MEN1KMT2APRMT5TRPV3
SCHEMBL20140593 0.85 HTR1A (0.54) GPR119TRPV3KDM4ETHRBMAPT
SCHEMBL16291592 0.85 GPR119 (0.50) GPR119MEN1KMT2APRMT5TRPV3
SCHEMBL29518419 0.85 GPR119 (0.50) GPR119MEN1KMT2APRMT5TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464630-B1 MICROBIOCIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2016-05-25 EP disclosed
US-8748420-B2 Pyridinylcarboxylic acid derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2014-06-10 US disclosed
US-20140066442-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-06 US disclosed
US-8604040-B2 Pyridinylcarboxylic acid derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2013-12-10 US disclosed
US-20130144064-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA CROP PROTECTION, LLC (US) 2013-06-06 US disclosed
EP-2576539-A1 PYRIDINYLCARBOXYLIC ACID DERIVATIVES AS FUNGICIDES Bayer CropScience AG (DE) 2013-04-10 EP disclosed
CN-103025723-A Pyridinylcarboxylic acid derivatives as fungicides BAYER CROPSCIENCE AG 2013-04-03 CN disclosed
US-8367844-B2 Microbiocidal heterocycles SYNGENTA CROP PROTECTION LLC (US) 2013-02-05 US disclosed
US-20120142698-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA CROP PROTECTION, LLC (US) 2012-06-07 US disclosed
US-20120065197-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2012-03-15 US disclosed
WO-2011147765-A1 PYRIDINYLCARBOXYLIC ACID DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-12-01 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-20120065197-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides PNPO, CYP1A1, CHRM1 GPR119 2050/4885MEN1 412/4885KMT2A 3169/4885
US-20140066442-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides PNPO, CYP1A1, CHRM1 GPR119 1827/4885MEN1 428/4885KMT2A 3300/4885
US-20120142698-A1 MICROBIOCIDAL HETEROCYCLES CBR1, NOX1, CBR3 GPR119 648/4885MEN1 2163/4885KMT2A 4420/4885
US-20130144064-A1 MICROBIOCIDAL HETEROCYCLES CBR1, NOX1, CX3CR1 GPR119 605/4885MEN1 2183/4885KMT2A 4365/4885

“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.