SCHEMBL3776782

SCHEMBL3776782

CN(C(=O)OC(C)(C)C)C1(CNc2cncc(-c3ccc(C(=O)O)cc3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
XDH P47989 2/20 0.40
MKNK1 Q9BUB5 4/20 0.37
MKNK2 Q9HBH9 4/20 0.37
GPR119 Q8TDV5 3/20 0.35
AAK1 Q2M2I8 1/20 0.35
CASP3 P42574 1/20 0.34
P2RY14 Q15391 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
PRF1 P14222 1/20 0.34
MCHR1 Q99705 1/20 0.33
MAP4K4 O95819 1/20 0.33
SSTR5 P35346 1/20 0.33
PIM3 Q86V86 1/20 0.33
ALPL P05186 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
SCHEMBL3781094 0.90 KMO (0.38)
SCHEMBL3768495 0.84 SSTR5 (0.37) AAK1SSTR5
SCHEMBL3773208 0.82 CHEK1 (0.40) CHEK1XDHMKNK1MKNK2GPR119
SCHEMBL3785603 0.76 FNTA (0.37)
SCHEMBL4793425 0.72 CYP26A1 (0.36) AAK1
SCHEMBL4672927 0.72 MAPKAPK2 (0.36) AAK1
Hydrochloric Acid SCHEMBL3802158 0.72 CHEK1 (0.44) CHEK1XDHMKNK1MKNK2CASP3
SCHEMBL3777334 0.72 KMO (0.39)
SCHEMBL3778732 0.70 MAP4K4 (0.34) GPR119MAP4K4SSTR5
SCHEMBL28929747 0.70 RXRA (0.41) GPR119

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 CHEK1 3675/4885XDH 974/4885MKNK1 4506/4885

“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.