SCHEMBL12500007

SCHEMBL12500007

NC(=O)O[C@@H]1C[C@H]1c1ccc(Nc2cccc(Cl)c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ROCK1 Q13464 2/20 0.41
PIM1 P11309 2/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
HCK P08631 1/20 0.41
ROS1 P08922 1/20 0.41
PRKACA P17612 1/20 0.41
MARK3 P27448 1/20 0.41
LTK P29376 1/20 0.41
FLT3 P36888 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CLK2 P49760 1/20 0.41
MAPK10 P53779 1/20 0.41
MAP2K1 Q02750 1/20 0.41
MAP3K10 Q02779 1/20 0.41

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
SCHEMBL12500010 1.00 CHRNB4 (0.46) CHRNB4CHRNA3MEN1KMT2AROCK1
SCHEMBL12500047 0.82 KDM1A (0.44) MAP4K4KDM1AMAOBHDAC3HDAC1
SCHEMBL15346048 0.82 KDM1A (0.44) MAP4K4KDM1AMAOBHDAC3HDAC1
SCHEMBL15355740 0.81 KDM1A (0.59) CHRNB4CHRNA3ROCK1PIM1JAK2
SCHEMBL1290434 0.81 KDM1A (0.59) CHRNB4CHRNA3ROCK1PIM1JAK2
SCHEMBL1290435 0.81 KDM1A (0.59) CHRNB4CHRNA3ROCK1PIM1JAK2
Hydrochloric Acid SCHEMBL1290665 0.79 KDM1A (0.57) CHRNB4CHRNA3ROCK1PIM1JAK2
Hydrochloric Acid SCHEMBL1290666 0.79 KDM1A (0.57) CHRNB4CHRNA3ROCK1PIM1JAK2
SCHEMBL15345966 0.78 CHRNB4 (0.50) CHRNB4CHRNA3MEN1KMT2AROCK1
SCHEMBL15345967 0.78 CHRNB4 (0.50) CHRNB4CHRNA3MEN1KMT2AROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160000768-A1 CYCLOPROPYLAMINE INHIBITORS OF OXIDASES ORYZON GENOMICS S.A. (ES) 2016-01-07 US disclosed
US-9061966-B2 Cyclopropylamine inhibitors of oxidases ORYZON GENOMICS S.A. (ES) 2015-06-23 US disclosed
US-20130289076-A1 CYCLOPROPYLAMINE INHIBITORS OF OXIDASES ORYZON GENOMICS S.A. (ES) 2013-10-31 US disclosed
WO-2012045883-A1 CYCLOPROPYLAMINE INHIBITORS OF OXIDASES ORYZON GENOMICS S.A. (ES) 2012-04-12 WO 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 (2 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-20160000768-A1 CYCLOPROPYLAMINE INHIBITORS OF OXIDASES PPOX, MAOB, MAOA CHRNB4 1351/4885CHRNA3 1323/4885MEN1 3922/4885
US-20130289076-A1 CYCLOPROPYLAMINE INHIBITORS OF OXIDASES PPOX, MAOB, MAOA CHRNB4 1351/4885CHRNA3 1323/4885MEN1 3922/4885

“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.