SCHEMBL3780101

SCHEMBL3780101

CC(C)(C)N(CC1(COc2cnc(F)c(-c3ccc(Cl)cc3)c2)CC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 7/20 0.36
FFAR4 Q5NUL3 8/20 0.36
PDE5A O76074 1/20 0.35
KCNH2 Q12809 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
LTC4S Q16873 1/20 0.35
CNR1 P21554 1/20 0.34
DHODH Q02127 1/20 0.33

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
SCHEMBL3776533 0.91 MAP4K4 (0.37) MAP4K4FFAR4PDE5AKCNH2MINK1
SCHEMBL3781401 0.91 FFAR4 (0.34) MAP4K4FFAR4
SCHEMBL3771949 0.90 CNR2 (0.37) MAP4K4LTC4S
SCHEMBL3778599 0.90 MALT1 (0.38) MAP4K4PDE5AKCNH2MINK1LTC4S
SCHEMBL3779566 0.90 CYP4F2 (0.32) FFAR4
SCHEMBL3779591 0.89 EGLN1 (0.38) KCNH2
SCHEMBL3779583 0.86 PDK2 (0.35)
SCHEMBL3767791 0.84 FFAR4 (0.33) FFAR4KCNH2CHRNB4CHRNA3
SCHEMBL3781385 0.84 FFAR4 (0.38) MAP4K4FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3779166 0.84 FFAR4 (0.38) MAP4K4FFAR4PDE5AKCNH2MINK1

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 3835/4885FFAR4 110/4885PDE5A 1837/4885

“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.