SCHEMBL3146952

SCHEMBL3146952

CN(C(=O)O)C1(COc2cncc(-c3ccccc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNB1 P11230 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNB3 Q05901 2/20 0.43
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
AKT1 P31749 2/20 0.36
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL3772192 0.91 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL3151919 0.90 CYP11B1 (0.42) MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL3137070 0.90 XDH (0.43) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL3146037 0.90 MAP4K4 (0.45) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3155835 0.90 CHRNB1 (0.44) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3154857 0.89 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL3141913 0.89 XDH (0.42) XDHSLC22A12
SCHEMBL3150649 0.89 XDH (0.37) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL3142660 0.88 MKNK1 (0.36) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL3141489 0.88 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324205-A1 FLUID, FLUORINE-CONTAINING AND SINGLE-COMPONENT COMPOSITION CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2010-12-23 US disclosed
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
EP-1979321-B9 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2010-02-17 EP disclosed
US-20090198000-A1 Liquid fluorine-containing and two-component compositions for the surface treatment of mineral and non-mineral substrates EVONIK DEGUSSA GMBH (DE) 2009-08-06 US disclosed
EP-1979321-B1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2009-07-29 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG CHRNB2 18/4885CHRNA4 8/4885CHRNB1 7/4885

“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.