SCHEMBL3326015

SCHEMBL3326015

CCN(C)C=Nc1cc(C)c(Oc2ccc(-c3ccccc3)cc2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.34
HTR2A P28223 2/20 0.34
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LSS P48449 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
LTA4H P09960 1/20 0.31
SLC6A2 P23975 2/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL3326013 1.00 SLC6A4 (0.34) SLC6A4HTR2APPARGPPARDPPARA
SCHEMBL2685504 0.93 SMN1; SMN2 (0.36) SLC6A4HTR2ASMN1; SMN2LMNAHTT
SCHEMBL29355914 0.93 SMN1; SMN2 (0.36) SLC6A4HTR2ASMN1; SMN2LMNAHTT
SCHEMBL15649015 0.93 SMN1; SMN2 (0.36) SLC6A4HTR2ASMN1; SMN2LMNAHTT
SCHEMBL2685505 0.93 SMN1; SMN2 (0.36) SLC6A4HTR2ASMN1; SMN2LMNAHTT
SCHEMBL3324790 0.91 SLC6A4 (0.34) SLC6A4PPARDNPC1RAB9ASMN1; SMN2
SCHEMBL3324786 0.91 SLC6A4 (0.34) SLC6A4PPARDNPC1RAB9ASMN1; SMN2
SCHEMBL12710229 0.89 SLC6A4 (0.35) SLC6A4HTR2APPARDSMN1; SMN2HTT
SCHEMBL3323221 0.89 PPARD (0.35) PPARDCYP3A4ADRA2AALDH1A1
SCHEMBL3322072 0.89 SLC6A4 (0.35) SLC6A4HTR2APPARDSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299302-B2 4-Cycloalkyl or 4-substituted phenoxyphenylamidines and use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-10-30 US claimed
US-20100120615-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-05-13 US claimed
EP-2120560-A1 4-CYCLOALKYL OR 4-ARYL SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2009-11-25 EP claimed
WO-2008110315-A1 4-CYCLOALKYL OR 4-ARYL SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE TEHROF AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-09-18 WO claimed
EP-1969934-A1 4-cycloalkyl or 4-aryl substituted phenoxy phenylamidines and their use as fungicides Bayer CropScience AG (DE) 2008-09-17 EP claimed
US-8748662-B2 4-cycloalkyl or 4-aryl substituted phenoxyphenylamidines and use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2014-06-10 US disclosed
US-20130012742-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2013-01-10 US disclosed
US-8299302-B2 4-Cycloalkyl or 4-substituted phenoxyphenylamidines and use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
US-20100120615-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-05-13 US disclosed
EP-2120560-A1 4-CYCLOALKYL OR 4-ARYL SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2009-11-25 EP disclosed
WO-2008110315-A1 4-CYCLOALKYL OR 4-ARYL SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE TEHROF AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-09-18 WO disclosed
EP-1969934-A1 4-cycloalkyl or 4-aryl substituted phenoxy phenylamidines and their use as fungicides Bayer CropScience AG (DE) 2008-09-17 EP 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-20100120615-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES DDT, CYP4B1, PAH SLC6A4 895/4885HTR2A 1423/4885PPARG 2042/4885
US-20130012742-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES DDT, CYP4B1, PAH SLC6A4 895/4885HTR2A 1423/4885PPARG 2042/4885

“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.