SCHEMBL3770733

SCHEMBL3770733

Cc1ncc(OCC2(CN(C(=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
PTGDR2 Q9Y5Y4 2/20 0.36
F11 P03951 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
CNR2 P34972 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
SGK1 O00141 1/20 0.34
CTSA P10619 1/20 0.33
NLRP3 Q96P20 1/20 0.33
PIN1 Q13526 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PDE4D Q08499 2/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL3768530 0.93 SLC22A12 (0.38) SLC22A12PTGDR2HRH2HRH1CNR2
SCHEMBL3780227 0.90 EGLN1 (0.38) SLC22A12EGLN1KDM1A
SCHEMBL3770703 0.87 SMN1; SMN2 (0.33) RAF1BRAFALDH1A1
SCHEMBL3772254 0.86 EGLN1 (0.39) SLC22A12HRH2HRH1CNR2EGLN1
SCHEMBL3779591 0.83 EGLN1 (0.38) SLC22A12PTGDR2EGLN1KDM1A
SCHEMBL3260960 0.83 EGLN1 (0.40) SLC22A12PTGDR2F11HRH2HRH1
SCHEMBL3776533 0.82 MAP4K4 (0.37)
SCHEMBL3772525 0.82 ABL1 (0.34) SLC22A12
SCHEMBL3260962 0.81 PTGDR2 (0.38) SLC22A12PTGDR2F11HRH2HRH1
SCHEMBL3771949 0.81 CNR2 (0.37) CNR2EGLN1

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 442/4885F11 3472/4885

“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.