SCHEMBL4356697

SCHEMBL4356697

Cc1cnc2ccccc2c1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.41
TACR3 P29371 7/20 0.39
SLC6A5 Q9Y345 1/20 0.39
MAPK1 P28482 2/20 0.38
TACR2 P21452 5/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 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
SCHEMBL3230781 0.81 SLC6A9 (0.59) SLC6A9SLC6A5L3MBTL1
SCHEMBL13780494 0.81 SLC6A9 (0.59) SLC6A9SLC6A5L3MBTL1
SCHEMBL4352703 0.81 PREP (0.49) SLC6A9TACR3
SCHEMBL4367407 0.79 NSD2 (0.48) SLC6A9TACR3ALDH1A1
SCHEMBL3236708 0.79 SLC6A9 (0.48) SLC6A9SLC6A5MEN1KMT2ASMN1; SMN2
SCHEMBL4355716 0.78 SMN1; SMN2 (0.53) TACR3MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL3237783 0.77 SLC6A9 (0.47) SLC6A9SLC6A5
SCHEMBL3243915 0.77 SLC6A9 (0.47) SLC6A9SLC6A5ALDH1A1CYP3A4CYP2C9
SCHEMBL3237287 0.76 SLC6A9 (0.45) SLC6A9SLC6A5CYP1A2CYP2C19
SCHEMBL3234800 0.76 SLC6A9 (0.51) SLC6A9SLC6A5L3MBTL1

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 1038/4885TACR3 2005/4885SLC6A5 221/4885

“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.