SCHEMBL3700658

SCHEMBL3700658

FC(F)CNCc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
CHRM2 P08172 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
DNM1 Q05193 4/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL415949 0.79 CHRM2 (0.67) GAACHRM2SMN1; SMN2ALDH1A1MEN1
SCHEMBL6566603 0.79 GAA (0.56) GAACHRM2SMN1; SMN2ALDH1A1DNM1
SCHEMBL3700676 0.79 CHRM2 (0.52) GAACHRM2SMN1; SMN2ALDH1A1DNM1
SCHEMBL3701547 0.78 MEN1 (0.56) GAACHRM2ALDH1A1DNM1MEN1
Hydrochloric Acid SCHEMBL7695180 0.77 CHRM2 (0.64) GAACHRM2SMN1; SMN2ALDH1A1MEN1
SCHEMBL28471534 0.76 IL6 (0.46) GAAALDH1A1KCNH2
SCHEMBL11294244 0.76 CYP1A2 (0.62) GAACHRM2SMN1; SMN2ALDH1A1DNM1
SCHEMBL229169 0.76 GAA (0.51) GAASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL12652035 0.76 CHRM2 (0.57) GAACHRM2SMN1; SMN2ALDH1A1MEN1
SCHEMBL11094422 0.75 CHRM2 (0.75) GAACHRM2SMN1; SMN2ALDH1A1MEN1

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-2638002-B1 METHOD FOR PREPARING 2,2-DIFLUOROETHYLAMINE STARTING FROM A BENZYLAMINE COMPOUND BAYER IP GMBH (DE) 2017-05-10 EP disclosed
EP-2638002-B1 METHOD FOR PREPARING 2,2-DIFLUOROETHYLAMINE STARTING FROM A BENZYLAMINE COMPOUND BAYER IP GMBH (DE) 2017-05-10 EP disclosed
EP-2638002-A1 METHOD FOR PREPARING 2,2-DIFLUOROETHYLAMINE STARTING FROM A BENZYLAMINE COMPOUND Bayer Intellectual Property GmbH (DE) 2013-09-18 EP disclosed
US-8450528-B2 Process for the preparation of 2,2-difluoroethylamine starting from a benzylamine compound BAYER CROPSCIENCE AG (DE) 2013-05-28 US disclosed
US-8450528-B2 Process for the preparation of 2,2-difluoroethylamine starting from a benzylamine compound BAYER CROPSCIENCE AG (DE) 2013-05-28 US disclosed
US-8450528-B2 Process for the preparation of 2,2-difluoroethylamine starting from a benzylamine compound BAYER CROPSCIENCE AG (DE) 2013-05-28 US disclosed
WO-2012062702-A1 METHOD FOR PREPARING 2,2-DIFLUOROETHYLAMINE STARTING FROM A BENZYLAMINE COMPOUND BAYER CROPSCIENCE AG (DE) 2012-05-18 WO disclosed
WO-2012062702-A1 METHOD FOR PREPARING 2,2-DIFLUOROETHYLAMINE STARTING FROM A BENZYLAMINE COMPOUND BAYER CROPSCIENCE AG (DE) 2012-05-18 WO disclosed
US-20120123163-A1 PROCESS FOR THE PREPARATION OF 2,2-DIFLUOROETHYLAMINE STARTING FROM A BENZYLAMINE COMPOUND BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
US-20120123163-A1 PROCESS FOR THE PREPARATION OF 2,2-DIFLUOROETHYLAMINE STARTING FROM A BENZYLAMINE COMPOUND BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
US-20120123163-A1 PROCESS FOR THE PREPARATION OF 2,2-DIFLUOROETHYLAMINE STARTING FROM A BENZYLAMINE COMPOUND BAYER CROPSCIENCE AG (DE) 2012-05-17 US 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-20120123163-A1 PROCESS FOR THE PREPARATION OF 2,2-DIFLUOROETHYLAMINE STARTING FROM A BENZYLAMINE COMPOUND HDHD5, CTRB2, H1-2 GAA 2102/4885CHRM2 159/4885SMN1; SMN2 3121/4885

“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.