SCHEMBL3779566

SCHEMBL3779566

CC(C)(C)N(CC1(COc2cnc(F)c(-c3ccncc3)c2)CC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
FFAR4 Q5NUL3 4/20 0.31
SLC22A12 Q96S37 1/20 0.31
MAPK14 Q16539 1/20 0.31
PPARD Q03181 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
GCK P35557 1/20 0.30
KDM1A O60341 1/20 0.30
CYP46A1 Q9Y6A2 1/20 0.30

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
SCHEMBL3779583 0.91 PDK2 (0.35) AKR1C3AKR1C2
SCHEMBL3781401 0.90 FFAR4 (0.34) FFAR4
SCHEMBL3780101 0.90 MAP4K4 (0.36) FFAR4
SCHEMBL3777920 0.89 FFAR4 (0.36) FFAR4SLC22A12
SCHEMBL3779591 0.88 EGLN1 (0.38) SLC22A12KDM1A
SCHEMBL3771949 0.85 CNR2 (0.37)
SCHEMBL3767791 0.85 FFAR4 (0.33) FFAR4
SCHEMBL3768530 0.84 SLC22A12 (0.38) SLC22A12
SCHEMBL3773306 0.82 CYP4A11 (0.32) CYP4F2CYP4A11PPARD
SCHEMBL3776533 0.81 MAP4K4 (0.37) FFAR4

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 CYP4F2 345/4885CYP4A11 412/4885FFAR4 110/4885

“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.