SCHEMBL3722932

SCHEMBL3722932

CN(CC(O)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.50
RIPK1 Q13546 1/20 0.46
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BACE1 P56817 3/20 0.43
ATM Q13315 1/20 0.41
NAMPT P43490 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL20611086 1.00 AOC3 (0.50) AOC3RIPK1KDM4EMEN1KMT2A
SCHEMBL8007152 0.88 TACR1 (0.49) RIPK1KDM4EMEN1KMT2AATM
SCHEMBL2532624 0.87 TAAR1 (0.39) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2525051 0.86 GPR88 (0.44) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6050417 0.85 RIPK1 (0.51) AOC3RIPK1KDM4EMEN1KMT2A
SCHEMBL6050532 0.85 RIPK1 (0.51) AOC3RIPK1KDM4EMEN1KMT2A
SCHEMBL525671 0.85 RIPK1 (0.51) AOC3RIPK1KDM4EMEN1KMT2A
SCHEMBL5350824 0.85 AOC3 (0.53) AOC3RIPK1SLC6A4
SCHEMBL2530932 0.85 AOC3 (0.34) AOC3BACE1SLC6A4
SCHEMBL5361268 0.85 AOC3 (0.53) AOC3RIPK1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0036426-A4 NOVEL PROCESS AND INTERMEDIATES USEFUL IN THE PREPARATION OF SYMPATHOMIMETIC AMINES. INTERX RESEARCH CORP (US) 1983-03-29 EP claimed
EP-0036426-A1 NOVEL PROCESS AND INTERMEDIATES USEFUL IN THE PREPARATION OF SYMPATHOMIMETIC AMINES. INTERX RESEARCH CORP (US) 1981-09-30 EP claimed
WO-1981000849-A1 NOVEL PROCESS AND INTERMEDIATES USEFUL IN THE PREPARATION OF SYMPATHOMIMETIC AMINES INTERX RESEARCH CORP (US) 1981-04-02 WO claimed
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
EP-1660091-B1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES INC (US) 2009-04-15 EP disclosed
US-7329669-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-02-12 US disclosed
US-20070015778-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-01-18 US disclosed
US-7071200-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-07-04 US disclosed
EP-1660091-A1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2006-05-31 EP disclosed
US-20050043338-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-02-24 US disclosed
WO-2005007164-A1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2005-01-27 WO disclosed
EP-0036426-A4 NOVEL PROCESS AND INTERMEDIATES USEFUL IN THE PREPARATION OF SYMPATHOMIMETIC AMINES. INTERX RESEARCH CORP (US) 1983-03-29 EP disclosed
EP-0036426-A1 NOVEL PROCESS AND INTERMEDIATES USEFUL IN THE PREPARATION OF SYMPATHOMIMETIC AMINES. INTERX RESEARCH CORP (US) 1981-09-30 EP disclosed
WO-1981000849-A1 NOVEL PROCESS AND INTERMEDIATES USEFUL IN THE PREPARATION OF SYMPATHOMIMETIC AMINES INTERX RESEARCH CORP (US) 1981-04-02 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 (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-20050043338-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR AOC3 2117/4885RIPK1 2999/4885KDM4E 1723/4885
US-20070015778-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR AOC3 2117/4885RIPK1 2999/4885KDM4E 1723/4885
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies BACE1, APP, BACE2 AOC3 3061/4885RIPK1 1888/4885KDM4E 4470/4885

“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.