SCHEMBL4358874

SCHEMBL4358874

CNC1(C(NC(=O)c2cc(C(F)(F)F)nc3ccc(F)cc23)c2ccccc2)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
SLC2A1 P11166 6/20 0.41
SLC2A3 P11169 5/20 0.41
SLC2A2 P11168 3/20 0.41
SLC2A4 P14672 3/20 0.41
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SLC6A9 P48067 4/20 0.37
TACR3 P29371 2/20 0.37
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PLA2G2A P14555 2/20 0.35
KDM4E B2RXH2 1/20 0.35
DHODH Q02127 1/20 0.34

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
SCHEMBL8263391 0.87 GAA (0.49) GAASLC2A1SLC2A3SLC2A2SLC2A4
SCHEMBL4359090 0.78 KMT2A (0.40) GAASLC2A1SLC2A3SLC2A2SLC2A4
SCHEMBL4357027 0.77 TACR3 (0.46) SLC2A1ALDH1A1TACR3ADORA2AADORA1
SCHEMBL8264900 0.77 SMN1; SMN2 (0.53) GAATACR3KDM4E
SCHEMBL4361680 0.77 TACR3 (0.45) SLC2A1ALDH1A1TACR3ADORA2AADORA1
SCHEMBL4358870 0.74 TACR3 (0.43) SLC2A1TACR3ADORA2AADORA1
SCHEMBL13619216 0.74 TACR3 (0.44) SLC2A1SLC6A9TACR3ADORA2AADORA1
SCHEMBL4351001 0.73 TACR3 (0.38) GAASLC2A1SLC6A9TACR3
SCHEMBL13303748 0.73 SLC6A9 (0.48) SLC6A9
SCHEMBL4363718 0.73 TACR3 (0.43) SLC2A1TACR3ADORA2AADORA1

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-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 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-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES PNMT, SLC18A2, COMT GAA 110/4885SLC2A1 1844/4885SLC2A3 2239/4885

“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.