SCHEMBL3768530

SCHEMBL3768530

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.36
EGLN1 Q9GZT9 2/20 0.35
SGK1 O00141 1/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
NLRP3 Q96P20 1/20 0.33
PDE4D Q08499 3/20 0.33
GRM5 P41594 2/20 0.33
CNR2 P34972 1/20 0.33
DGAT2 Q96PD7 1/20 0.32
BACE1 P56817 1/20 0.32
RIPK2 O43353 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
SCHEMBL3770733 0.93 SLC22A12 (0.38) SLC22A12PTGDR2EGLN1SGK1HRH2
SCHEMBL3779591 0.90 EGLN1 (0.38) SLC22A12PTGDR2EGLN1
SCHEMBL3771949 0.88 CNR2 (0.37) EGLN1GRM5CNR2
SCHEMBL3767791 0.88 FFAR4 (0.33) BACE1
SCHEMBL3772254 0.86 EGLN1 (0.39) SLC22A12EGLN1SGK1GABRG2GABRB3
SCHEMBL3779583 0.86 PDK2 (0.35)
SCHEMBL3779566 0.84 CYP4F2 (0.32) SLC22A12
SCHEMBL3780227 0.83 EGLN1 (0.38) SLC22A12EGLN1
SCHEMBL3781401 0.83 FFAR4 (0.34)
SCHEMBL3780101 0.83 MAP4K4 (0.36)

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.