SCHEMBL3779162

SCHEMBL3779162

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.37
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
P2RX7 Q99572 1/20 0.31
DGAT1 O75907 1/20 0.31
ABL1 P00519 2/20 0.31
PTGER4 P35408 2/20 0.31
MAP4K4 O95819 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL3781381 0.93 FFAR4 (0.38) FFAR4CHRNB4CHRNA3CHRNA7P2RX7
SCHEMBL3782750 0.92 FFAR4 (0.40) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3771875 0.92 FFAR4 (0.38) FFAR4CHRNB4CHRNA3CHRNA7P2RX7
SCHEMBL3777917 0.91 FFAR4 (0.35) FFAR4CHRNB4CHRNA3CHRNA7THRA
SCHEMBL3770369 0.88 FFAR4 (0.35) FFAR4CHRNB4CHRNA3CHRNA7THRA
SCHEMBL3770375 0.88 FFAR4 (0.35) FFAR4CHRNB4CHRNA3CHRNA7THRA
SCHEMBL3773721 0.88 NPC1 (0.35) FFAR4ABL1
SCHEMBL3772970 0.87 FFAR4 (0.35) FFAR4CHRNB4CHRNA3CHRNA7P2RX7
SCHEMBL3779570 0.86 XDH (0.36) MAP4K4
SCHEMBL3776531 0.86 MAP4K4 (0.37) FFAR4CHRNB4CHRNA3CHRNA7ABL1

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 110/4885CHRNB4 16/4885CHRNA3 13/4885

“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.