SCHEMBL2265355

SCHEMBL2265355

CNC(=O)C1CCN(C(=O)O)C(C(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP4 P27487 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNA7 P36544 1/20 0.34
LMNA P02545 1/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.32
LTA4H P09960 1/20 0.32
NOTUM Q6P988 1/20 0.32
BCHE P06276 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31

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
SCHEMBL16456936 0.86 LMNA (0.33) DPP4LMNARXRARXRBRXRG
SCHEMBL5078432 0.83 LMNA (0.41) DPP4LMNANOTUM
SCHEMBL17963567 0.82 LMNA (0.33) DPP4LMNA
SCHEMBL21899858 0.82 LMNA (0.33) DPP4LMNA
SCHEMBL17028505 0.81 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2DPP4LMNA
SCHEMBL3692470 0.78 DPP4 (0.32) SMN1; SMN2DPP4LMNA
SCHEMBL2261406 0.78 DPP4 (0.35) DPP4LMNACYP46A1NOTUMBCHE
SCHEMBL2424794 0.77 HPGD (0.42) ALDH1A1SMN1; SMN2DPP4LMNARXRA
SCHEMBL2262429 0.76 EPHX1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL4633549 0.76

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER REC TECH LTD (GB) 2014-11-27 US disclosed
US-8778925-B2 Pyridine and pyrimidine based compounds as Wnt signaling pathway inhibitors for the treatment of cancer CANCER RESEARCH TECHNOLOGY LTD. (GB) 2014-07-15 US disclosed
US-20110190297-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED 2011-08-04 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 (2 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-20110190297-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER WNT1, CTNNB1, WNT3 ALDH1A1 1376/4885SMN1; SMN2 4623/4885DPP4 1890/4885
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER WNT1, CTNNB1, WNT3 ALDH1A1 1376/4885SMN1; SMN2 4623/4885DPP4 1890/4885

“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.