SCHEMBL3776533

SCHEMBL3776533

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

nearest known ligand 0.37

Predicted protein targets (top 16)

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
LTC4S Q16873 1/20 0.35
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CNR1 P21554 1/20 0.33
FFAR4 Q5NUL3 5/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
AHR P35869 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LTB4R Q15722 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
SCHEMBL3780101 0.91 MAP4K4 (0.36) MAP4K4PDE5AKCNH2MINK1LTC4S
SCHEMBL3772525 0.90 ABL1 (0.34) MAP4K4PDE5AKCNH2MINK1FFAR4
SCHEMBL3778599 0.90 MALT1 (0.38) MAP4K4PDE5AKCNH2MINK1LTC4S
SCHEMBL3780227 0.88 EGLN1 (0.38) KCNH2
SCHEMBL3781385 0.86 FFAR4 (0.38) MAP4K4CHRNB4CHRNA3CHRNA7FFAR4
SCHEMBL3779166 0.85 FFAR4 (0.38) MAP4K4PDE5AKCNH2MINK1LTC4S
SCHEMBL3782751 0.84 FFAR4 (0.41) MAP4K4CHRNB4CHRNA3CHRNA7FFAR4
SCHEMBL3775792 0.84 CHRNB1 (0.41) MAP4K4PDE5AKCNH2MINK1LTC4S
SCHEMBL3770703 0.84 SMN1; SMN2 (0.33) MAPTSMN1; SMN2
SCHEMBL3771878 0.84 FFAR4 (0.39) MAP4K4LTC4SCHRNB4CHRNA3CHRNA7

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.