SCHEMBL4367407

SCHEMBL4367407

CN(C)C1(C(NC(=O)c2cccc3ncccc23)c2ccccc2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.48
SLC6A9 P48067 1/20 0.44
PREP P48147 5/20 0.43
FAP Q12884 3/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TACR3 P29371 3/20 0.41
ACLY P53396 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
P2RX7 Q99572 2/20 0.40
PABPC1 P11940 2/20 0.39
EIF4H Q15056 2/20 0.39
NR4A1 P22736 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL4352703 0.94 PREP (0.49) SLC6A9PREPFAPTACR3ITGB1
SCHEMBL8236886 0.85 P2RX7 (0.45) SLC6A9KDM4EALDH1A1ITGB1ITGA4
SCHEMBL4182935 0.84 SLC6A9 (0.61) SLC6A9
SCHEMBL4356096 0.83 KDM4E (0.41) SLC6A9KDM4ETACR3
SCHEMBL4355716 0.82 SMN1; SMN2 (0.53) KDM4EALDH1A1TACR3
SCHEMBL8263977 0.81 GAA (0.50) KDM4EALDH1A1TACR3
SCHEMBL4365704 0.81 SLC6A9 (0.41) SLC6A9PREPFAPKDM4EALDH1A1
SCHEMBL4356706 0.81 LMNA (0.51) SLC6A9PREPFAPKDM4ETACR3
SCHEMBL4356991 0.79 SCN9A (0.49) SLC6A9TACR3
SCHEMBL4355261 0.79 CXCR5 (0.44) SLC6A9TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 US disclosed
US-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 US disclosed
US-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 US disclosed
WO-2006067430-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-06-29 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-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES PNMT, SLC18A2, COMT NSD2 878/4885SLC6A9 1038/4885PREP 323/4885

“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.