SCHEMBL5853399

SCHEMBL5853399

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 1/20 0.38
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
CPB2 Q96IY4 1/20 0.36
REN P00797 2/20 0.34
MAPK1 P28482 1/20 0.34
EPHX2 P34913 1/20 0.34
ANPEP P15144 3/20 0.34
LAP3 P28838 2/20 0.34
RNPEP Q9H4A4 1/20 0.34
DNPEP Q9ULA0 1/20 0.34
SLC15A1 P46059 1/20 0.33
F10 P00742 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CSNK1E P49674 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 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
SCHEMBL5619623 0.84 LAP3 (0.45) CPB2RENANPEPLAP3RNPEP
SCHEMBL5853384 0.78 HPGD (0.40) IL1RNERAP2ERAP1LNPEPREN
SCHEMBL5620850 0.77 GRIK1 (0.50) IL1RNERAP2ERAP1LNPEPCPB2
SCHEMBL5389173 0.74 F2 (0.40) MAPK1EPHX2ANPEPLAP3RNPEP
SCHEMBL5389179 0.74 F2 (0.40) MAPK1EPHX2ANPEPLAP3RNPEP
Hydrochloric Acid SCHEMBL5225613 0.73 F2 (0.40) MAPK1EPHX2ANPEPLAP3RNPEP
Hydrochloric Acid SCHEMBL5225608 0.73 F2 (0.40) MAPK1EPHX2ANPEPLAP3RNPEP
SCHEMBL5379155 0.69 F2 (0.42) ANPEPLAP3RNPEPDNPEPSLC15A1
Hydrochloric Acid SCHEMBL5219159 0.68 F2 (0.41) ANPEPLAP3RNPEPDNPEPSLC15A1
SCHEMBL4070249 0.67 SLC1A3 (0.49) RENANPEPLAP3RNPEPDNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-21 US disclosed
EP-1448520-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
EP-1448516-A1 HYDROXYETHYLENE COMPOUNDS WITH ASP2 INHIBITORY ACTIVITY 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-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use BACE2, PSEN2, BACE1 IL1RN 2564/4885ERAP2 119/4885ERAP1 290/4885

“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.