SCHEMBL3460656

SCHEMBL3460656

NCC(=O)NCCCC[C@@H](N)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.58
GSR P00390 1/20 0.57
ARG2 P78540 4/20 0.47
ARG1 P05089 3/20 0.47
NOD1 Q9Y239 2/20 0.46
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
DDAH1 O94760 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL6672850 1.00 OTC (0.58) OTCGSRARG2ARG1NOD1
SCHEMBL358166 1.00 OTC (0.58) OTCGSRARG2ARG1NOD1
SCHEMBL13043221 0.94 OTC (0.65) OTCGSRARG2ARG1NOD1
SCHEMBL21611913 0.93 OTC (0.53) OTCGSRARG2ARG1NOD1
SCHEMBL1768369 0.86 OTC (0.50) OTCGSRNOD1CYP1A2
SCHEMBL1768374 0.86 OTC (0.50) OTCGSRNOD1CYP1A2
SCHEMBL27841191 0.86 OTC (0.55) OTCGSRARG2ARG1NOD1
SCHEMBL12238274 0.86 OTC (0.55) OTCGSRARG2ARG1NOD1
SCHEMBL18924743 0.86 GSR (0.58) OTCGSRARG2ARG1NOD1
SCHEMBL5974000 0.85 OTC (0.58) OTCGSRARG2ARG1NOD1

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
EP-1896407-A1 NOVEL 2-AZETIDINONE DERIVATIVES AND THEIR USE AS CHOLESTEROL ABSORPTION INHIBITORS FOR THE TREATMENT OF HYPERLIPIDAEMIA AstraZeneca AB (SE) 2008-03-12 EP claimed
WO-2006137782-A1 NOVEL 2-AZETIDINONE DERIVATIVES AND THEIR USE AS CHOLESTEROL ABSORPTION INHIBITORS FOR THE TREATMENT OF HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2006-12-28 WO claimed
EP-0995761-A2 Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders Dupont Pharmaceuticals Company (US) 2000-04-26 EP claimed
CN-1122577-A Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders DU PONT MERCK PHARMA (US) 1996-05-15 CN claimed
US-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity ASTRAZENECA AB (SE) 2010-04-22 US disclosed
EP-0995761-A2 Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders Dupont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
CN-1122577-A Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders DU PONT MERCK PHARMA (US) 1996-05-15 CN 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-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 OTC 1897/4885GSR 2879/4885ARG2 4236/4885

“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.