SCHEMBL4540492

SCHEMBL4540492

CN(C)C1(C(NC(=O)c2cc(N3CCCCC3)nc3ccccc23)c2ccccc2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
HIF1A Q16665 3/20 0.46
GAA P10253 2/20 0.45
ACHE P22303 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 2/20 0.45
USP2 O75604 1/20 0.45
TACR3 P29371 4/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL8264860 0.87 KDM4E (0.48) KDM4EALDH1A1POLBHPGDALOX12
SCHEMBL4355716 0.84 SMN1; SMN2 (0.53) KDM4EALDH1A1GAAL3MBTL1MEN1
SCHEMBL8263977 0.83 GAA (0.50) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL4361680 0.82 TACR3 (0.45) KDM4EALDH1A1MEN1KMT2ATACR3
SCHEMBL4357027 0.81 TACR3 (0.46) KDM4EALDH1A1MEN1KMT2ATACR3
SCHEMBL4365697 0.80 TACR3 (0.60) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL6098802 0.79 TACR3 (0.64) KDM4EALDH1A1POLBHPGDALOX12
SCHEMBL6098805 0.79 TACR3 (0.64) KDM4EALDH1A1POLBHPGDALOX12
SCHEMBL4352703 0.79 PREP (0.49) TACR3
SCHEMBL6100469 0.78 TACR3 (0.65) KDM4EALDH1A1POLBHPGDALOX12

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 3 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

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 KDM4E 453/4885ALDH1A1 132/4885POLB 3791/4885

“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.