SCHEMBL3049883

SCHEMBL3049883

CN(C(=O)c1ccccc1)[C@@H](Cc1ccccc1)[C@H](O)CN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
MDM2 Q00987 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
NPY5R Q15761 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NOD2 Q9HC29 1/20 0.38
GAA P10253 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
SCHEMBL3055251 1.00 ABCB1 (0.46) ABCB1ALPIPKMPTGS1XIAP
SCHEMBL3049977 1.00 ABCB1 (0.46) ABCB1ALPIPKMPTGS1XIAP
SCHEMBL3039931 0.87 ALPI (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3057264 0.87 ALPI (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3055250 0.84 ABCB1 (0.44) ABCB1ALPIPKMPTGS1XIAP
SCHEMBL3049974 0.84 ABCB1 (0.44) ABCB1ALPIPKMPTGS1XIAP
SCHEMBL3049880 0.84 ABCB1 (0.44) ABCB1ALPIPKMPTGS1XIAP
SCHEMBL3171872 0.83 ABCB1 (0.37) ABCB1SLC7A5KMT2AMEN1NPY5R
SCHEMBL3055620 0.81 HPGD (0.58) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL3046902 0.81 HPGD (0.58) KMT2AMEN1HPGDALDH1A1MAPT

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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US disclosed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US disclosed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US disclosed
WO-2010086366-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-08-05 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 ABCB1 137/4885ALPI 359/4885PKM 3853/4885

“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.