SCHEMBL3775790

SCHEMBL3775790

CC(C)(C)C(NC(=O)O)C1(COc2cncc(-c3ccc(Cl)cc3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNB3 Q05901 1/20 0.40
XDH P47989 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
INPPL1 O15357 1/20 0.38
MAP4K4 O95819 4/20 0.37
SCN10A Q9Y5Y9 4/20 0.37
SCN2A Q99250 3/20 0.36
PDE5A O76074 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
CHRNA7 P36544 1/20 0.36
AKT1 P31749 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL3780621 0.91 AKT1 (0.33) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3774460 0.90 CTSA (0.42) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3776413 0.90 CHRNB1 (0.40) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3779000 0.90 SHMT1 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3774122 0.90 XDH (0.39) XDHSLC22A12INPPL1MAP4K4MINK1
SCHEMBL3780593 0.89 MAPT (0.36) XDHSLC22A12KCNH2EGLN1MAPT
SCHEMBL3780251 0.88 XDH (0.46) XDHSLC22A12MAP4K4SCN10AKCNH2
SCHEMBL3770617 0.87 CHRNB1 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3771510 0.87 CTSA (0.36) AKT1
SCHEMBL3776531 0.85 MAP4K4 (0.37) CHRNB4CHRNA3MAP4K4PDE5AKCNH2

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.