SCHEMBL2194257

SCHEMBL2194257

CCCCCC(O[N])c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 6/20 0.42
SIGMAR1 Q99720 1/20 0.41
HTR2A P28223 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
CSNK1E P49674 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC6A4 P31645 1/20 0.38
NAAA Q02083 2/20 0.37
POLB P06746 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL1459570 0.85 SLC7A5 (0.44) SLC7A5SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL29002040 0.83 HTR2A (0.44) SLC7A5SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL11005389 0.83 HTR2A (0.44) SLC7A5SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL27633640 0.83 HTR2A (0.44) SLC7A5SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL8048483 0.83 HTR2A (0.44) SLC7A5SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL9168419 0.83 HTR2A (0.44) SLC7A5SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL3219880 0.83 HTR2A (0.44) SLC7A5SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL7448877 0.83 HTR2A (0.44) SLC7A5SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL16057441 0.83 HTR2A (0.44) SLC7A5SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL7896297 0.83 SLC7A5 (0.43) SLC7A5SIGMAR1HTR2AOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140206726-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-24 US claimed
EP-2748161-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-07-02 EP claimed
EP-2658853-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2013-11-06 EP claimed
US-20130289077-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-31 US claimed
WO-2013026836-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-28 WO claimed
US-20130012546-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-01-10 US claimed
EP-2519516-A2 FUNGICIDAL HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience AG (DE) 2012-11-07 EP claimed
EP-2474542-A1 Fungicide hydroximoyl-tetrazole derivatives Bayer CropScience AG (DE) 2012-07-11 EP claimed
WO-2012089757-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-07-05 WO claimed
WO-2011080255-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-07-07 WO claimed
US-20140206726-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-24 US disclosed
EP-2748161-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-07-02 EP disclosed
EP-2658853-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2013-11-06 EP disclosed
US-20130289077-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-31 US disclosed
WO-2013026836-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-28 WO disclosed
US-20130012546-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-01-10 US disclosed
EP-2519516-A2 FUNGICIDAL HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience AG (DE) 2012-11-07 EP disclosed
EP-2474542-A1 Fungicide hydroximoyl-tetrazole derivatives Bayer CropScience AG (DE) 2012-07-11 EP disclosed
WO-2012089757-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-07-05 WO disclosed
WO-2011080255-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-07-07 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 (3 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-20130289077-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES CYP4X1, HPD, CYP8B1 SLC7A5 3673/4885SIGMAR1 4174/4885HTR2A 2403/4885
US-20140206726-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HPD, HAAO, CYP8B1 SLC7A5 3079/4885SIGMAR1 4391/4885HTR2A 3170/4885
US-20130012546-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HPD, HAAO, CYP8B1 SLC7A5 3079/4885SIGMAR1 4391/4885HTR2A 3170/4885

“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.