SCHEMBL3779004

SCHEMBL3779004

CC(C)(C)CN(C(=O)O)C1(COc2cncc(-c3cc(Cl)ccc3Cl)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 2/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNB3 Q05901 2/20 0.37
INPPL1 O15357 5/20 0.37
SHMT1 P34896 1/20 0.35
ORAI1 Q96D31 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL3775795 0.89 CHRNB1 (0.41) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3774129 0.87 XDH (0.39) INPPL1SLC22A12
SCHEMBL3780631 0.86 CYP11B2 (0.33) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3771523 0.86 NR1H4 (0.36) INPPL1
SCHEMBL3138285 0.85 CHRNB1 (0.40) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3780145 0.84 MAPT (0.34) SLC22A12FFAR4
SCHEMBL3776422 0.82 CHRNB1 (0.41) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3780599 0.81 XDH (0.34) CHRNB2SLC22A12
SCHEMBL3778603 0.81 MALT1 (0.38)
SCHEMBL3765742 0.80 CYP11B1 (0.39)

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.