SCHEMBL3739313

SCHEMBL3739313

CCN(CC)C(=O)c1cc(C)c(C)cc1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.51
LMNA P02545 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.46
HSP90AA1 P07900 7/20 0.45
HSP90AB1 P08238 7/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
MLYCD O95822 1/20 0.42
CYP1A2 P05177 1/20 0.41
BLM P54132 1/20 0.41
RECQL P46063 1/20 0.41
KEAP1 Q14145 1/20 0.40
USP2 O75604 1/20 0.39

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
SCHEMBL14927059 0.81 HPGD (0.46) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL509560 0.80 CYP1A2 (0.54) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL509845 0.79 HPGD (0.58) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL509140 0.79 HPGD (0.54) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL471656 0.77 HPGD (0.50) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL471665 0.76 HPGD (0.72) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL1034975 0.76 HPGD (0.49) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6648687 0.76 ALDH1A1 (0.51) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL13666585 0.76 HPGD (0.49) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10082156 0.76 USP2 (0.57) HPGDLMNAMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829741-B2 Process for producing α, α-difluoroamine NATIONAL UNIVERSITY CORPORATION (JP) 2010-11-09 US disclosed
US-20090177012-A1 PROCESS FOR PRODUCING ALPHA, ALPHA-DIFLUOROAMINE NATIONAL UNIVERSITY CORPORATION, HOKKAIDO UNIVERSITY (JP) 2009-07-09 US disclosed
EP-1813596-A1 PROCESS FOR PRODUCING ALPHA, ALPHA- DIFLUOROAMINE National University Corporation Hokkaido University (JP) 2007-08-01 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-20090177012-A1 PROCESS FOR PRODUCING ALPHA, ALPHA-DIFLUOROAMINE FUCA1, FUCA2, DBH HPGD 1246/4885LMNA 4155/4885MEN1 476/4885

“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.