SCHEMBL2840520

SCHEMBL2840520

CC(C)(C)OC(=O)NC1CC1(F)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.45
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
KDM1A O60341 2/20 0.43
CCR1 P32246 2/20 0.42
GAA P10253 1/20 0.39
EPHX2 P34913 1/20 0.36
RORC P51449 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL15541860 0.86 MAOB (0.45) NFKB1NFKB2RELAMAOAMAOB
SCHEMBL15541816 0.86 MAOB (0.45) NFKB1NFKB2RELAMAOAMAOB
SCHEMBL15541573 0.86 MAOB (0.45) NFKB1NFKB2RELAMAOAMAOB
SCHEMBL15200841 0.83 DRD2 (0.46) DRD2NFKB1NFKB2RELAKDM1A
SCHEMBL16355421 0.83 DRD2 (0.46) DRD2NFKB1NFKB2RELAKDM1A
SCHEMBL16212080 0.79 MAOB (0.51) MAOAMAOBKDM1AKMT2A
SCHEMBL15541016 0.75 HDAC4 (0.42) DRD2NFKB1NFKB2RELAMAOB
SCHEMBL30012009 0.74 KDM1A (0.60) DRD2NFKB1NFKB2RELAMAOA
SCHEMBL20264346 0.73 NFKB1 (0.44) NFKB1NFKB2RELAKDM1AGAA
SCHEMBL951707 0.73 NFKB1 (0.44) NFKB1NFKB2RELAKDM1AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER ANIMAL HEALTH GMBH (DE) 2016-03-17 US disclosed
WO-2014177487-A9 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-23 WO disclosed
WO-2014177487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2014-11-06 WO disclosed
US-8618023-B2 Microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2013-12-31 US disclosed
US-20100022570-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
US-20100022570-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
EP-2018367-B1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-11-18 EP disclosed
EP-2018367-A1 NOVEL MICROBIOCIDES Syngeta Participations AG (CH) 2009-01-28 EP disclosed
WO-2007134799-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-11-29 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-20100022570-A1 NOVEL MICROBIOCIDES QSOX1, MSR1, NOX1 DRD2 238/4885NFKB1 1066/4885NFKB2 1345/4885
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES DNPH1, AADAC, NAAA DRD2 3747/4885NFKB1 4292/4885NFKB2 4603/4885

“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.