SCHEMBL3771008

SCHEMBL3771008

CC(C)(C)C(NC(=O)O)C1(COc2cncc(-c3cccc([N+](=O)[O-])c3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNB3 Q05901 1/20 0.47
ECE1 P42892 1/20 0.40
MAPT P10636 3/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
CPT1A P50416 1/20 0.36
GAA P10253 3/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4A P27815 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
SCHEMBL3771012 1.00 CHRNB1 (0.47) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3770617 0.90 CHRNB1 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3765822 0.87 XDH (0.40) CHRNB2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3765737 0.87 KDR (0.40) ITGB3ITGA2BRAB9A
SCHEMBL3778996 0.87 KDR (0.37)
SCHEMBL3774122 0.86 XDH (0.39) MAPT
SCHEMBL3772252 0.83 EGLN1 (0.41)
SCHEMBL3780461 0.83 AKT1 (0.46)
SCHEMBL3771510 0.81 CTSA (0.36)
SCHEMBL3775790 0.81 CHRNB1 (0.40) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

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 CHRNB1 7/4885CHRNB2 18/4885CHRNB4 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.