SCHEMBL3300501

SCHEMBL3300501

CCN(C)/C=N/c1cc(CF)c(Oc2ccc(Cl)c(C(C)(C)C)c2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.34
SLC6A4 P31645 9/20 0.34
KCNH2 Q12809 8/20 0.34
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ESRRA P11474 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
SCHEMBL3300506 1.00 HTR2A (0.34) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL2336047 0.89 ESRRA (0.34) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL2340382 0.89 HTR2A (0.33) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL912134 0.89 HTR2A (0.33) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL2336045 0.89 ESRRA (0.34) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL912135 0.89 HTR2A (0.33) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL3299887 0.88 SCN9A (0.35) HTR2ASLC6A4KCNH2ESRRA
SCHEMBL910774 0.88 SCN9A (0.35) HTR2ASLC6A4KCNH2ESRRA
SCHEMBL910773 0.88 SCN9A (0.35) HTR2ASLC6A4KCNH2ESRRA
SCHEMBL22176952 0.86 HTR2A (0.35) HTR2ASLC6A4KCNH2ESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134170-B1 FLUORALKYLPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER IP GMBH (DE) 2015-06-03 EP claimed
US-8299301-B2 Fluoralkylphenylamidines and the use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-10-30 US claimed
US-20100093534-A1 FLUORALKYLPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-15 US claimed
EP-1969931-A1 Fluoroalkyl phenylamidines and their use as fungicides Bayer CropScience Aktiengesellschaft (DE) 2008-09-17 EP claimed
EP-2134170-B1 FLUORALKYLPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER IP GMBH (DE) 2015-06-03 EP disclosed
US-8299301-B2 Fluoralkylphenylamidines and the use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
US-20100093534-A1 FLUORALKYLPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-15 US disclosed
EP-2134170-A1 FLUORALKYLPHENYLAMIDINES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-23 EP disclosed
WO-2008110314-A1 FLUORALKYLPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-18 WO disclosed
EP-1969931-A1 Fluoroalkyl phenylamidines and their use as fungicides Bayer CropScience Aktiengesellschaft (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 (1 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-20100093534-A1 FLUORALKYLPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES PFAS, DDT, PAH HTR2A 1767/4885SLC6A4 1427/4885KCNH2 1028/4885

“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.