SCHEMBL3709897

SCHEMBL3709897

C=CCN(Cc1ccc(Cl)nc1)CC(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRNA1 P02708 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL12723416 0.76 BCHE (0.34) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL9052010 0.72 ALDH1A1 (0.38) GAAMAPTKDM4EL3MBTL1CHRNA1
SCHEMBL9319280 0.71 ALDH1A1 (0.41) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL763408 0.69 ALDH1A1 (0.41) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL5048184 0.69 HRH3 (0.50) GAAMAPTKDM4EL3MBTL1CHRNA1
SCHEMBL25325647 0.68 GAA (0.46) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL12697280 0.68 GAA (0.46) GAAMAPTKDM4EL3MBTL1CHRNA1
SCHEMBL13040797 0.67 ALDH1A1 (0.47) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL14080397 0.67 GAA (0.33) GAAMAPTKDM4EL3MBTL1CHRNA1
Hydrochloric Acid SCHEMBL9281543 0.67 GAA (0.44) GAAMAPTKDM4EL3MBTL1CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638010-B1 METHOD FOR PREPARING 2,2-DIFLUOROETHYLAMINE DERIVATIVES STARTING FROM N-(2,2-DIFLUOROETHYL)PROP-2-EN-1-AMINE BAYER IP GMBH (DE) 2014-12-31 EP disclosed
EP-2638010-B1 METHOD FOR PREPARING 2,2-DIFLUOROETHYLAMINE DERIVATIVES STARTING FROM N-(2,2-DIFLUOROETHYL)PROP-2-EN-1-AMINE BAYER IP GMBH (DE) 2014-12-31 EP disclosed
US-8586756-B2 Process for the preparation of 2,2-difluoroethylamine derivatives starting from N-(2,2-difluoroethyl)prop-2-en-1-amine BAYER CROPSCIENCE AG (DE) 2013-11-19 US disclosed
US-8586756-B2 Process for the preparation of 2,2-difluoroethylamine derivatives starting from N-(2,2-difluoroethyl)prop-2-en-1-amine BAYER CROPSCIENCE AG (DE) 2013-11-19 US disclosed
US-8586756-B2 Process for the preparation of 2,2-difluoroethylamine derivatives starting from N-(2,2-difluoroethyl)prop-2-en-1-amine BAYER CROPSCIENCE AG (DE) 2013-11-19 US disclosed
US-20120123130-A1 PROCESS FOR THE PREPARATION OF 2,2-DIFLUOROETHYLAMINE DERIVATIVES STARTING FROM N-(2,2-DIFLUOROETHYL)PROP-2-EN-1-AMINE BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
US-20120123130-A1 PROCESS FOR THE PREPARATION OF 2,2-DIFLUOROETHYLAMINE DERIVATIVES STARTING FROM N-(2,2-DIFLUOROETHYL)PROP-2-EN-1-AMINE BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
US-20120123130-A1 PROCESS FOR THE PREPARATION OF 2,2-DIFLUOROETHYLAMINE DERIVATIVES STARTING FROM N-(2,2-DIFLUOROETHYL)PROP-2-EN-1-AMINE 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-20120123130-A1 PROCESS FOR THE PREPARATION OF 2,2-DIFLUOROETHYLAMINE DERIVATIVES STARTING FROM N-(2,2-DIFLUOROETHYL)PROP-2-EN-1-AMINE AFF2, AFF1, AFF4 GAA 1522/4885MAPT 2934/4885KDM4E 519/4885

“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.