SCHEMBL4455531

SCHEMBL4455531

CN(C)CCNC(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)O)CC3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.47
CD274 Q9NZQ7 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CHRM4 P08173 2/20 0.42
FYN P06241 4/20 0.42
RAD52 P43351 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
SETD7 Q8WTS6 1/20 0.41
HPGD P15428 1/20 0.41
PIK3CA P42336 2/20 0.41
MTOR P42345 2/20 0.41
PIK3CG P48736 2/20 0.41
BRAF P15056 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL14191528 0.88 GPR119 (0.53)
SCHEMBL4455478 0.84 GPR119 (0.46) ALDH1A1
SCHEMBL4461819 0.83 CHRM4 (0.43) CD274CHRM4HPGD
SCHEMBL4456659 0.80 PARP15 (0.48) MKNK1MKNK2
SCHEMBL4455454 0.80 GPR119 (0.46) ALDH1A1HPGD
SCHEMBL4455528 0.79 HRH3 (0.47)
SCHEMBL4461516 0.78 NPY2R (0.40) ALDH1A1
SCHEMBL4457038 0.78 POLB (0.51) MKNK1MKNK2HPGD
SCHEMBL4453746 0.78 SMN1; SMN2 (0.46) ALDH1A1
SCHEMBL4455518 0.77 GRIN2B (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP claimed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO 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-20080103141-A1 New compounds GPR119, GPR3, GPR4 IKBKB 3271/4885CD274 3464/4885ALDH1A1 1823/4885

“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.