SCHEMBL3772192

SCHEMBL3772192

Cc1ccc(-c2cncc(OCC3(N(C)C(=O)O)CC3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.43
CHRNB1 P11230 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNB3 Q05901 2/20 0.43
XDH P47989 2/20 0.42
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
SLC22A12 Q96S37 1/20 0.36
GSK3B P49841 2/20 0.36
DYRK1A Q13627 1/20 0.36
CHRNA4 P43681 1/20 0.36
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CYP11B1 P15538 1/20 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
SCHEMBL3146952 0.91 CHRNB2 (0.44) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3146037 0.90 MAP4K4 (0.45) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3155835 0.90 CHRNB1 (0.44) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3150649 0.89 XDH (0.37) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3142660 0.88 MKNK1 (0.36) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3137070 0.88 XDH (0.43) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3146059 0.87 XDH (0.43) CHRNB2XDHSLC22A12CHRNA4MAP4K4
SCHEMBL3260280 0.86 CHRNB1 (0.39) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3150665 0.84 CYP11B2 (0.35) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3142717 0.84 AKT1 (0.42) XDHMKNK1MKNK2

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 CHRNB2 18/4885CHRNB1 7/4885CHRNB4 16/4885

“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.