SCHEMBL3039931

SCHEMBL3039931

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
HPGD P15428 1/20 0.43
MDM2 Q00987 1/20 0.42
NPY5R Q15761 1/20 0.42
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL3057264 1.00 ALPI (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3049883 0.87 ABCB1 (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3049977 0.87 ABCB1 (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3055251 0.87 ABCB1 (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3039926 0.84 EPHX1 (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3057261 0.84 EPHX1 (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3049974 0.82 ABCB1 (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3049880 0.82 ABCB1 (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3055250 0.82 ABCB1 (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8615898 0.80 NPY5R (0.52) PKMHPGDMDM2NPY5RCYP2D6

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 1 patent. 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

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 ALPI 359/4885PKM 3853/4885PTGS1 74/4885

“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.