SCHEMBL3701549

SCHEMBL3701549

NC(CC(F)F)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.47
DPP4 P27487 2/20 0.46
F2 P00734 1/20 0.46
GBA1 P04062 2/20 0.44
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
HTR2A P28223 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL16367913 0.85 DPP4 (0.55) SCN4ADPP4F2GBA1GRIN2D
SCHEMBL2521653 0.85 DPP4 (0.55) SCN4ADPP4F2GBA1GRIN2D
SCHEMBL6859189 0.85 DPP4 (0.55) SCN4ADPP4F2GBA1GRIN2D
SCHEMBL6859196 0.85 DPP4 (0.55) SCN4ADPP4F2GBA1GRIN2D
SCHEMBL22338073 0.79 IDO1 (0.41) DPP4TAAR1
SCHEMBL5914545 0.76 TAAR1 (0.48) SCN4ADPP4F2TAAR1
SCHEMBL6856102 0.76 TAAR1 (0.48) SCN4ADPP4F2TAAR1
SCHEMBL13995085 0.76 TAAR1 (0.48) SCN4ADPP4F2TAAR1
SCHEMBL28853589 0.76 SCN4A (0.47) SCN4ADPP4F2GBA1GRIN2D
SCHEMBL11415966 0.76 TAAR1 (0.48) SCN4ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 SCN4A 2003/4885DPP4 4308/4885F2 523/4885

“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.