SCHEMBL3779591

SCHEMBL3779591

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.38
KDM1A O60341 15/20 0.38
MAOB P27338 4/20 0.36
SLC22A12 Q96S37 1/20 0.36
AKT1 P31749 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KCNH2 Q12809 2/20 0.35
RCOR1 Q9UKL0 1/20 0.35

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
SCHEMBL3780227 0.93 EGLN1 (0.38) EGLN1KDM1AMAOBSLC22A12AKT1
SCHEMBL3768530 0.90 SLC22A12 (0.38) EGLN1SLC22A12PTGDR2
SCHEMBL3781401 0.89 FFAR4 (0.34)
SCHEMBL3780101 0.89 MAP4K4 (0.36) KCNH2
SCHEMBL3779566 0.88 CYP4F2 (0.32) KDM1ASLC22A12
SCHEMBL3780254 0.85 XDH (0.40) EGLN1SLC22A12AKT1KCNH2
SCHEMBL3779583 0.84 PDK2 (0.35)
SCHEMBL3770733 0.83 SLC22A12 (0.38) EGLN1KDM1ASLC22A12PTGDR2
SCHEMBL3767791 0.83 FFAR4 (0.33) KCNH2
SCHEMBL3772525 0.80 ABL1 (0.34) SLC22A12KCNH2

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 EGLN1 3487/4885KDM1A 1957/4885MAOB 674/4885

“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.