SCHEMBL4358082

SCHEMBL4358082

CN(C)C1(C(NC(=O)c2ccc(C#N)c3ccccc23)c2ccccc2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.40
LMNA P02545 1/20 0.38
MAPK10 P53779 1/20 0.36
SCN9A Q15858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
S1PR3 Q99500 1/20 0.35
EZH2 Q15910 1/20 0.35
AR P10275 1/20 0.34
SLC6A9 P48067 3/20 0.33
TACR3 P29371 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL4355261 0.84 CXCR5 (0.44) LMNAMAPK10SCN9ASLC6A9TACR3
SCHEMBL4356991 0.84 SCN9A (0.49) LMNASCN9ASLC6A9TACR3
SCHEMBL4359374 0.84 SLC6A9 (0.41) LMNASCN9ASLC6A9TACR3
SCHEMBL4357362 0.82 PLK1 (0.50) LMNASCN9AALDH1A1SLC6A9TACR3
SCHEMBL4352703 0.77 PREP (0.49) SLC6A9TACR3
SCHEMBL4361757 0.77 NCEH1 (0.40) LMNAALDH1A1SLC6A9TACR3
SCHEMBL3237287 0.77 SLC6A9 (0.45) LMNASLC6A9
SCHEMBL3244640 0.77 SLC6A9 (0.42) LMNAALDH1A1SLC6A9
SCHEMBL3236131 0.76 ALDH1A1 (0.41) LMNAALDH1A1SLC6A9
SCHEMBL3255543 0.76 KMT2A (0.46) LMNA

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 SLC22A12 761/4885LMNA 4046/4885MAPK10 3138/4885

“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.