SCHEMBL3773208

SCHEMBL3773208

CN(C(=O)OC(C)(C)C)C1(COc2cncc(-c3ccc(C(=O)O)cc3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.40
XDH P47989 2/20 0.39
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 1/20 0.38
AKT1 P31749 1/20 0.38
GPR119 Q8TDV5 4/20 0.36
MAP4K4 O95819 3/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL3777334 0.90 KMO (0.39) RXRARXRB
SCHEMBL3778732 0.85 MAP4K4 (0.34) GPR119MAP4K4
SCHEMBL28929747 0.84 RXRA (0.41) RXRARXRBGPR119
SCHEMBL3137227 0.84 FFAR4 (0.36) GPR119MAP4K4
SCHEMBL3776782 0.82 CHEK1 (0.41) CHEK1XDHMKNK1MKNK2GPR119
SCHEMBL3772192 0.78 CHRNB2 (0.43) XDHMKNK1MKNK2MAP4K4
SCHEMBL3146952 0.78 CHRNB2 (0.44) XDHMKNK1MKNK2AKT1
SCHEMBL3146037 0.77 MAP4K4 (0.45) MKNK1MKNK2MAP4K4
SCHEMBL3155835 0.77 CHRNB1 (0.44) XDHMKNK1MKNK2MAP4K4
SCHEMBL7605146 0.77 CHRNB2 (0.42) GPR119

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 CHEK1 3675/4885XDH 974/4885MKNK1 4506/4885

“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.