SCHEMBL6407898

SCHEMBL6407898

CN(C)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CC(C)(C)CC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.55
FCER2 P06734 6/20 0.47
MMP1 P03956 6/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.47
MMP8 P22894 3/20 0.46
MMP9 P14780 2/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
ANPEP P15144 1/20 0.45
MMP2 P08253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
KLKB1 P03952 2/20 0.43

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
SCHEMBL5159430 0.86 MMP1 (0.50) F7MMP1ALDH1A1KMT2A
SCHEMBL5160205 0.85 F7 (0.59) F7FCER2MMP1ALDH1A1KMT2A
SCHEMBL6407136 0.83 F7 (0.64) F7FCER2MMP1ALDH1A1KMT2A
SCHEMBL6411176 0.83 F7 (0.57) F7FCER2MMP1ALDH1A1KMT2A
SCHEMBL5159894 0.79 MEN1 (0.46) F7ALDH1A1KMT2AKDM4EGAA
SCHEMBL5495637 0.78 AVPR1A (0.49) CTSS
SCHEMBL6407102 0.78 F7 (0.52) F7FCER2MMP1ALDH1A1KMT2A
SCHEMBL6409719 0.77 F7 (0.51) F7FCER2MMP1ALDH1A1KMT2A
SCHEMBL5494078 0.76 CHRNB2 (0.55) CTSLCTSBCTSS
SCHEMBL5491140 0.76 CHRNB2 (0.55) CTSLCTSBCTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases AVANIR PHARMACEUTICALS 2005-12-15 US claimed
US-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases AVANIR PHARMACEUTICALS 2005-12-15 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-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases LDLR, NPC1L1, CETP F7 4389/4885FCER2 781/4885MMP1 3976/4885

“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.