SCHEMBL3780221

SCHEMBL3780221

Cc1ncc(OCC2(C(NC(=O)O)C(C)(C)C)CC2)cc1-c1ccc(C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 12/20 0.38
MAOB P27338 2/20 0.38
AKT1 P31749 1/20 0.38
MAP4K4 O95819 2/20 0.37
MINK1 Q8N4C8 2/20 0.37
TNIK Q9UKE5 2/20 0.37
KCNH2 Q12809 2/20 0.37
RCOR1 Q9UKL0 1/20 0.37
EGLN1 Q9GZT9 3/20 0.36
SLC22A12 Q96S37 1/20 0.36
CTSA P10619 1/20 0.36

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
SCHEMBL3779586 0.94 KDM1A (0.37) KDM1AMAOBAKT1MAP4K4MINK1
SCHEMBL3770731 0.90 SLC22A12 (0.38) EGLN1SLC22A12CTSA
SCHEMBL3776531 0.88 MAP4K4 (0.37) MAP4K4MINK1KCNH2CTSA
SCHEMBL3772521 0.88 ABL1 (0.38) MAP4K4SLC22A12
SCHEMBL3780251 0.86 XDH (0.46) KDM1AAKT1MAP4K4MINK1TNIK
SCHEMBL3768528 0.84 SLC22A12 (0.37) EGLN1SLC22A12CTSA
SCHEMBL3781398 0.83 FFAR4 (0.35)
SCHEMBL3780099 0.83 MAP4K4 (0.36) MAP4K4MINK1KCNH2CTSA
SCHEMBL3770701 0.82 ABL1 (0.36) CTSA
SCHEMBL3779564 0.81 ROCK1 (0.33) AKT1MAP4K4MINK1

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 KDM1A 1957/4885MAOB 674/4885AKT1 1820/4885

“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.