SCHEMBL3776531

SCHEMBL3776531

Cc1ncc(OCC2(C(NC(=O)O)C(C)(C)C)CC2)cc1-c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 10/20 0.37
PDE5A O76074 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
CNR1 P21554 1/20 0.35
CTSA P10619 2/20 0.34
ABL1 P00519 2/20 0.33
KCNA3 P22001 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL3780099 0.93 MAP4K4 (0.36) MAP4K4PDE5AKCNH2MINK1CNR1
SCHEMBL3778596 0.91 MALT1 (0.39) MAP4K4PDE5AKCNH2MINK1
SCHEMBL3772521 0.90 ABL1 (0.38) MAP4K4ABL1FFAR4
SCHEMBL3780221 0.88 KDM1A (0.38) MAP4K4KCNH2MINK1CTSA
SCHEMBL3781381 0.86 FFAR4 (0.38) CTSACHRNB4CHRNA3CHRNA7FFAR4
SCHEMBL3779162 0.86 FFAR4 (0.37) MAP4K4ABL1CHRNB4CHRNA3CHRNA7
SCHEMBL3775790 0.85 CHRNB1 (0.40) MAP4K4PDE5AKCNH2MINK1CNR1
SCHEMBL3782750 0.85 FFAR4 (0.40) CTSACHRNB4CHRNA3CHRNA7FFAR4
SCHEMBL3771875 0.85 FFAR4 (0.38) CTSAABL1CHRNB4CHRNA3CHRNA7
SCHEMBL3770701 0.84 ABL1 (0.36) CTSAABL1

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 MAP4K4 3835/4885PDE5A 1837/4885KCNH2 851/4885

“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.