SCHEMBL3770731

SCHEMBL3770731

Cc1ncc(OCC2(C(NC(=O)O)C(C)(C)C)CC2)cc1-c1cccc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.38
EGLN1 Q9GZT9 2/20 0.36
SGK1 O00141 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
CTSA P10619 2/20 0.35
F11 P03951 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
PDE4D Q08499 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
CNR2 P34972 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 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
SCHEMBL3768528 0.94 SLC22A12 (0.37) SLC22A12EGLN1SGK1PTGDR2CTSA
SCHEMBL3780221 0.90 KDM1A (0.38) SLC22A12EGLN1CTSA
SCHEMBL3772252 0.87 EGLN1 (0.41) SLC22A12EGLN1SGK1CTSAHRH2
SCHEMBL3770701 0.87 ABL1 (0.36) CTSARAF1BRAFALDH1A1
SCHEMBL3779586 0.84 KDM1A (0.37) SLC22A12EGLN1CTSA
SCHEMBL3776531 0.82 MAP4K4 (0.37) CTSA
SCHEMBL3772521 0.82 ABL1 (0.38) SLC22A12RAF1
SCHEMBL3767789 0.82 ECE1 (0.36) CTSARAF1BRAFALDH1A1
SCHEMBL3771948 0.82 CNR2 (0.36) EGLN1CTSACNR2
SCHEMBL3260960 0.81 EGLN1 (0.40) SLC22A12EGLN1PTGDR2F11HRH2

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 3272/4885EGLN1 3487/4885SGK1 4404/4885

“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.