SCHEMBL3781398

SCHEMBL3781398

CC(C)(C)C(NC(=O)O)C1(COc2cnc(F)c(-c3ccc(N)cc3)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 14/20 0.35
DGAT1 O75907 1/20 0.32
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
ABL1 P00519 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
SCHEMBL3772521 0.93 ABL1 (0.38) FFAR4DGAT1ABL1
SCHEMBL3780099 0.91 MAP4K4 (0.36) FFAR4
SCHEMBL3767789 0.90 ECE1 (0.36) FFAR4ALOX5APFEN1ABL1
SCHEMBL3779564 0.90 ROCK1 (0.33) FFAR4
SCHEMBL3779586 0.89 KDM1A (0.37)
SCHEMBL3779580 0.86 AHR (0.36) ABL1
SCHEMBL3771948 0.85 CNR2 (0.36)
SCHEMBL3768528 0.83 SLC22A12 (0.37)
SCHEMBL3776531 0.83 MAP4K4 (0.37) FFAR4ABL1
SCHEMBL3770701 0.83 ABL1 (0.36) ABL1

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 FFAR4 110/4885DGAT1 4281/4885ALOX5AP 1757/4885

“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.