SCHEMBL3506697

SCHEMBL3506697

CC(C)CC(N)C(O)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 5/20 0.47
ERAP2 Q6P179 4/20 0.47
IL1RN P18510 2/20 0.47
CSNK1E P49674 1/20 0.46
ANPEP P15144 3/20 0.45
METAP2 P50579 2/20 0.43
METAP1 P53582 2/20 0.43
TSHR P16473 1/20 0.42
LAP3 P28838 3/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL8270986 1.00 ERAP1 (0.47) ERAP1ERAP2IL1RNCSNK1EANPEP
Hydrochloric Acid SCHEMBL7435119 0.98 ERAP1 (0.46) ERAP1ERAP2IL1RNCSNK1EANPEP
SCHEMBL8884009 0.86 CSNK1E (0.46) ERAP1ERAP2IL1RNCSNK1EANPEP
SCHEMBL7362253 0.86 CYP1A2 (0.45) ERAP1ERAP2IL1RNCSNK1EANPEP
SCHEMBL7362251 0.86 ERAP1 (0.42) ERAP1ERAP2IL1RNCSNK1EANPEP
SCHEMBL7396180 0.82 CA2 (0.44) ERAP1ERAP2IL1RNCSNK1EANPEP
SCHEMBL7396177 0.82 CA2 (0.44) ERAP1ERAP2IL1RNCSNK1EANPEP
SCHEMBL27630320 0.82 CSNK1E (0.53) ERAP1ERAP2CSNK1EANPEPMETAP2
SCHEMBL14159706 0.82 ANPEP (0.50) ERAP1ERAP2ANPEPTSHRSLC6A2
SCHEMBL2486010 0.80 ANPEP (0.49) ERAP1ERAP2CSNK1EANPEPMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267609-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF GHOSH ARUN K 2010-10-21 US disclosed
EP-1448218-A4 BETA-SECRETASE INHIBITORS AND METHODS OF USE OKLAHOMA MED RES FOUND (US) 2009-01-14 EP disclosed
US-20060234944-A1 Beta-secretase inhibitors and methods of use OKLAHOMA MEDICAL RESEACH FOUNDATION (US) 2006-10-19 US disclosed
EP-1448218-A2 BETA-SECRETASE INHIBITORS AND METHODS OF USE Oklahoma Medical Research Foundation (US) 2004-08-25 EP disclosed
US-20040121947-A1 Compounds which inhibit beta-secretase activity and methods of use thereof OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2004-06-24 US disclosed
WO-2003039454-A2 BETA-SECRETASE INHIBITORS AND METHODS OF USE OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2003-05-15 WO disclosed
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
US-4652551-A PEPTIDE, HYPOTENSIVE ABBOTT LABORATORIES (US) 1987-03-24 US disclosed
EP-0172346-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 EP 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 (3 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-20100267609-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE2, BACE1, PSEN2 ERAP1 71/4885ERAP2 103/4885IL1RN 759/4885
US-20060234944-A1 Beta-secretase inhibitors and methods of use BACE2, BACE1, PSEN2 ERAP1 40/4885ERAP2 63/4885IL1RN 568/4885
US-20040121947-A1 Compounds which inhibit beta-secretase activity and methods of use thereof BACE2, BACE1, PSEN2 ERAP1 35/4885ERAP2 66/4885IL1RN 745/4885

“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.