SCHEMBL4355395

SCHEMBL4355395

O=C(NC(c1ccccc1)C1(N2CCCC2)CCCC1)c1ccc(Cl)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 17/20 0.44
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36

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
SCHEMBL4352738 0.83 SLC6A9 (0.46) SLC6A9SLC6A5
SCHEMBL1350574 0.83 MEN1 (0.50) SLC6A9KMT2AATMALDH1A1
SCHEMBL3238488 0.82 SLC6A9 (0.60) SLC6A9SLC6A5
SCHEMBL3239959 0.82 SLC6A9 (0.52) SLC6A9KMT2AALDH1A1SLC6A5
SCHEMBL3237489 0.80 SLC6A9 (0.50) SLC6A9ALDH1A1SLC6A5
SCHEMBL4359374 0.80 SLC6A9 (0.41) SLC6A9KMT2AATM
SCHEMBL1349461 0.79 SLC6A9 (0.43) SLC6A9KMT2ASLC6A5
SCHEMBL3238388 0.77 SLC6A9 (0.55) SLC6A9SLC6A5
SCHEMBL1349617 0.77 HPGD (0.46) SLC6A9KMT2AALDH1A1
SCHEMBL3244222 0.77 SLC6A9 (0.65) SLC6A9

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 SLC6A9 1038/4885KMT2A 112/4885ATM 1713/4885

“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.