SCHEMBL3768528

SCHEMBL3768528

CC(C)(C)C(NC(=O)O)C1(COc2cnc(F)c(-c3cccc(C#N)c3)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
EGLN1 Q9GZT9 2/20 0.36
SGK1 O00141 1/20 0.35
CTSA P10619 3/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
PDE4D Q08499 1/20 0.34
CNR2 P34972 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34
GABRG2 P18507 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
SCHEMBL3770731 0.94 SLC22A12 (0.38) SLC22A12PTGDR2EGLN1SGK1CTSA
SCHEMBL3779586 0.91 KDM1A (0.37) SLC22A12EGLN1CTSA
SCHEMBL3767789 0.88 ECE1 (0.36) CTSAALDH1A1
SCHEMBL3771948 0.88 CNR2 (0.36) EGLN1CTSACNR2
SCHEMBL3772252 0.86 EGLN1 (0.41) SLC22A12EGLN1SGK1CTSAHRH2
SCHEMBL3779580 0.86 AHR (0.36) CTSAALDH1A1
SCHEMBL3780221 0.84 KDM1A (0.38) SLC22A12EGLN1CTSA
SCHEMBL3779564 0.84 ROCK1 (0.33) CLK4MAPK1
SCHEMBL3780099 0.83 MAP4K4 (0.36) CTSA
SCHEMBL3781398 0.83 FFAR4 (0.35)

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 SLC22A12 3272/4885PTGDR2 442/4885EGLN1 3487/4885

“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.