SCHEMBL3768294

SCHEMBL3768294

CC(C)(C)N(CC1(COc2cncc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)CC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNB3 Q05901 2/20 0.43
CYP11B2 P19099 4/20 0.35
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
PPARD Q03181 1/20 0.34
DGAT1 O75907 3/20 0.33
DYRK1A Q13627 1/20 0.33
AKT1 P31749 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL3780627 0.86 CYP11B2 (0.35) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3776417 0.85 CHRNB1 (0.41) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3775792 0.83 CHRNB1 (0.41) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3774462 0.83 MAP4K4 (0.41) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3778997 0.83 DGAT1 (0.36) CHRNB2CYP11B2DGAT1DYRK1AAKT1
SCHEMBL3780596 0.82 CTPS1 (0.34) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3765825 0.82 XDH (0.40) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3765740 0.82 CYP11B1 (0.39) CYP11B2DYRK1A
SCHEMBL3774126 0.81 CNR2 (0.41) GRIN1GRIN2BCNR2
SCHEMBL3780254 0.81 XDH (0.40) CHRNB2CYP11B2AKT1

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.