SCHEMBL4356706

SCHEMBL4356706

COc1ccc2nccc(C(=O)NC(c3ccccc3)C3(N(C)C)CCCC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
KDM4E B2RXH2 2/20 0.47
SLC22A12 Q96S37 2/20 0.45
PREP P48147 3/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TACR3 P29371 4/20 0.41
DPP4 P27487 1/20 0.41
DPP9 Q86TI2 1/20 0.41
CYP1A2 P05177 1/20 0.39
PLA2G2A P14555 1/20 0.39
KDM4A O75164 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
DDR2 Q16832 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
AURKA O14965 1/20 0.38
LCK P06239 1/20 0.38
MET P08581 1/20 0.38
KDR P35968 1/20 0.38

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 0.86 PREP (0.49) PREPTACR3FAPSLC6A9
SCHEMBL3233235 0.81 MEN1 (0.42) MAPK1TACR3
SCHEMBL4367407 0.81 NSD2 (0.48) KDM4EPREPTACR3FAPSLC6A9
SCHEMBL3245066 0.81 P2RX7 (0.43) LMNAMAPK1SLC6A9
SCHEMBL4357362 0.78 PLK1 (0.50) LMNANPSR1TACR3CYP1A2SLC6A9
SCHEMBL4365704 0.76 SLC6A9 (0.41) KDM4EPREPTACR3KDM4AFAP
SCHEMBL3238270 0.76 ALDH1A1 (0.57) MAPK1SLC6A9
SCHEMBL3230762 0.75 SLC6A9 (0.45) MAPK1SLC6A9
SCHEMBL8236886 0.74 P2RX7 (0.45) LMNAKDM4ESLC6A9
SCHEMBL3257622 0.74 ALDH1A1 (0.38) LMNASLC6A9

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 LMNA 4046/4885KDM4E 453/4885SLC22A12 761/4885

“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.