SCHEMBL5619623

SCHEMBL5619623

CC(C)CC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NC12CCC(CC1)C2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.45
ANPEP P15144 3/20 0.45
RNPEP Q9H4A4 2/20 0.45
DNPEP Q9ULA0 2/20 0.45
CCR1 P32246 2/20 0.40
REN P00797 2/20 0.38
CPB2 Q96IY4 1/20 0.38
PSMB5 P28074 4/20 0.38
CSNK1E P49674 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5853399 0.84 IL1RN (0.38) LAP3ANPEPRNPEPDNPEPREN
SCHEMBL5619617 0.78 LAP3 (0.44) LAP3ANPEPRNPEPDNPEPCCR1
SCHEMBL6832228 0.76 CCR1 (0.54) LAP3ANPEPRNPEPDNPEPCCR1
SCHEMBL7580246 0.76 CCR1 (0.54) LAP3ANPEPRNPEPDNPEPCCR1
SCHEMBL5389179 0.74 F2 (0.40) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL5389173 0.74 F2 (0.40) LAP3ANPEPRNPEPDNPEPCSNK1E
Hydrochloric Acid SCHEMBL5225608 0.73 F2 (0.40) LAP3ANPEPRNPEPDNPEPCSNK1E
Hydrochloric Acid SCHEMBL5225613 0.73 F2 (0.40) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL7589901 0.71 LAP3 (0.70) LAP3ANPEPRNPEPDNPEPCCR1
SCHEMBL7679505 0.71 LAP3 (0.70) LAP3ANPEPRNPEPDNPEPCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160905-B2 Hydroxyethylene compounds with Asp2 inhibitory activity SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 US disclosed
US-6992103-B2 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2006-01-31 US disclosed
US-20050038028-A1 Hydroxyethylene compounds with asp2 inhibitory activity SMITHKLINE BEECHAM P.L.C. (GB) 2005-02-17 US disclosed
EP-1448516-A1 HYDROXYETHYLENE COMPOUNDS WITH ASP2 INHIBITORY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
EP-1448520-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
WO-2003045903-A1 HYDROXYETHYLENE COMPOUNDS WITH ASP2 INHIBITORY ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 WO disclosed
WO-2003045913-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 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-20050038028-A1 Hydroxyethylene compounds with asp2 inhibitory activity BACE2, BACE1, PSEN2 LAP3 898/4885ANPEP 99/4885RNPEP 273/4885

“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.