SCHEMBL10120746

SCHEMBL10120746

CCCCC1(CC2CCCCC2)NC(=O)N(Cc2ccc(CN3C[C@H](CCC)NC3=O)cc2)C1=O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.65
LMNA P02545 4/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 7/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
GRM2 Q14416 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.31
CTSD P07339 1/20 0.31

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
SCHEMBL7518108 0.92 BACE1 (0.62) BACE1LMNAHTTALDH1A1KMT2A
SCHEMBL10120979 0.92 BACE1 (0.62) BACE1LMNAHTTALDH1A1KMT2A
SCHEMBL8266561 0.91 BACE1 (0.60) BACE1LMNAHTTALDH1A1KMT2A
SCHEMBL7518412 0.88 BACE1 (0.65) BACE1LMNAHTTALDH1A1KMT2A
SCHEMBL7512580 0.88 BACE1 (0.65) BACE1LMNAHTTALDH1A1KMT2A
SCHEMBL13407706 0.86 BACE1 (0.61) BACE1LMNAHTTALDH1A1KMT2A
SCHEMBL7584937 0.85 BACE1 (0.60) BACE1LMNAHTTALDH1A1KMT2A
SCHEMBL17568893 0.83 BACE1 (0.54) BACE1LMNAHTTALDH1A1KMT2A
SCHEMBL17570159 0.82 BACE1 (0.55) BACE1LMNAHTT
SCHEMBL12410201 0.80 BACE1 (0.53) BACE1LMNAHTTALDH1A1KMT2A

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-8178513-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-15 US disclosed
US-8178513-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-15 US disclosed
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-12-10 US disclosed
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-12-10 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-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ BACE1 6/4885LMNA 2376/4885HTT 1558/4885

“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.