SCHEMBL3774129

SCHEMBL3774129

CC(C)(C)CN(C(=O)O)C1(COc2cncc(-c3cccc(Cl)c3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CNR2 P34972 1/20 0.39
VEGFA P15692 2/20 0.37
FLT1 P17948 2/20 0.37
EGLN1 Q9GZT9 2/20 0.37
EGLN3 Q9H6Z9 2/20 0.37
KDR P35968 2/20 0.36
MAP4K4 O95819 1/20 0.35
INPPL1 O15357 1/20 0.35
MAPT P10636 1/20 0.34
TET3 O43151 1/20 0.34
BBOX1 O75936 1/20 0.34
ASPH Q12797 1/20 0.34
TET2 Q6N021 1/20 0.34
KDM8 Q8N371 1/20 0.34
OGFOD1 Q8N543 1/20 0.34
TET1 Q8NFU7 1/20 0.34
HIF1AN Q9NWT6 1/20 0.34
GRIN2B Q13224 2/20 0.34

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
SCHEMBL3780631 0.90 CYP11B2 (0.33) XDHSLC22A12INPPL1
SCHEMBL3765742 0.90 CYP11B1 (0.39) EGLN1KDRCHEK2
SCHEMBL3775795 0.89 CHRNB1 (0.41) XDHSLC22A12EGLN1MAP4K4INPPL1
SCHEMBL3778998 0.89 CYP11B2 (0.36) EGLN1KDRGRIN2BGRIN1SMN1; SMN2
SCHEMBL3771523 0.88 NR1H4 (0.36) INPPL1JAK2
SCHEMBL3779004 0.87 CHRNB1 (0.37) SLC22A12INPPL1
SCHEMBL3780467 0.85 AKT1 (0.44)
SCHEMBL3141913 0.85 XDH (0.42) XDHSLC22A12CNR2VEGFAFLT1
SCHEMBL3776422 0.83 CHRNB1 (0.41) XDHGRIN2BPIM1RPS6KB1AKT2
SCHEMBL3780599 0.83 XDH (0.34) XDHSLC22A12EGLN1CDK8MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2010-12-16 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG XDH 974/4885SLC22A12 3272/4885CNR2 28/4885

“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.