SCHEMBL3770701

SCHEMBL3770701

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.36
ECE1 P42892 1/20 0.36
RAF1 P04049 5/20 0.34
BRAF P15056 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 1/20 0.31
KIT P10721 1/20 0.31
HPGDS O60760 1/20 0.31
MERTK Q12866 1/20 0.30
CSNK1D P48730 1/20 0.30
CTSA P10619 1/20 0.30
USP7 Q93009 1/20 0.30

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
SCHEMBL3767789 0.93 ECE1 (0.36) ABL1ECE1RAF1BRAFSMN1; SMN2
SCHEMBL3772521 0.90 ABL1 (0.38) ABL1RAF1
SCHEMBL3770731 0.87 SLC22A12 (0.38) RAF1BRAFALDH1A1CTSA
SCHEMBL3776531 0.84 MAP4K4 (0.37) ABL1CTSA
SCHEMBL3781398 0.83 FFAR4 (0.35) ABL1
SCHEMBL3771948 0.82 CNR2 (0.36) CTSA
SCHEMBL3780221 0.82 KDM1A (0.38) CTSA
SCHEMBL3782750 0.81 FFAR4 (0.40) MAPTCTSA
SCHEMBL3768528 0.81 SLC22A12 (0.37) ALDH1A1CTSA
SCHEMBL3774163 0.80 CTSA (0.39) SMN1; SMN2CTSA

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 ABL1 1469/4885ECE1 2458/4885RAF1 2398/4885

“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.