SCHEMBL3171872

SCHEMBL3171872

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.37
SLC7A5 Q01650 1/20 0.37
MAPT P10636 1/20 0.34
CAPN1 P07384 1/20 0.34
NPY5R Q15761 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BRD4 O60885 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
MAPK10 P53779 1/20 0.32

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 0.83 ABCB1 (0.46) ABCB1SLC7A5MAPTNPY5RNPC1
SCHEMBL3049977 0.83 ABCB1 (0.46) ABCB1SLC7A5MAPTNPY5RNPC1
SCHEMBL3049883 0.83 ABCB1 (0.46) ABCB1SLC7A5MAPTNPY5RNPC1
SCHEMBL3057264 0.72 ALPI (0.44) SLC7A5MAPTNPY5RNPC1RAB9A
SCHEMBL3039931 0.72 ALPI (0.44) SLC7A5MAPTNPY5RNPC1RAB9A
SCHEMBL3049974 0.70 ABCB1 (0.44) ABCB1SLC7A5MAPTNPY5RALDH1A1
SCHEMBL3055250 0.70 ABCB1 (0.44) ABCB1SLC7A5MAPTNPY5RALDH1A1
SCHEMBL3049880 0.70 ABCB1 (0.44) ABCB1SLC7A5MAPTNPY5RALDH1A1
SCHEMBL7364543 0.68 LAP3 (0.44) SLC7A5NPC1RAB9ABRD4BRD2
SCHEMBL3055620 0.67 HPGD (0.58) MAPTNPC1RAB9AALDH1A1LMNA

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 ABCB1 137/4885SLC7A5 2785/4885MAPT 1096/4885

“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.