SCHEMBL3771010

SCHEMBL3771010

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNB3 Q05901 1/20 0.48
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CPT1A P50416 1/20 0.34
CHRNA4 P43681 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ECE1 P42892 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
LMNA P02545 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
SCHEMBL3770619 0.90 CHRNB1 (0.36) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3765740 0.86 CYP11B1 (0.39) LMNA
SCHEMBL3765825 0.86 XDH (0.40) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3778997 0.85 DGAT1 (0.36) CHRNB2CHRNA4
SCHEMBL3774126 0.85 CNR2 (0.41) KDM4EMAPT
SCHEMBL3772254 0.83 EGLN1 (0.39) CHRNB2CHRNA4
SCHEMBL3780464 0.82 AKT1 (0.44)
SCHEMBL3771516 0.81 NR1H4 (0.36)
SCHEMBL3137093 0.81 CHRNB2 (0.52) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3137105 0.81 CHRNB1 (0.49) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3

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.