SCHEMBL2439447

SCHEMBL2439447

CC(C)(C)OC(=O)[N+]1(CO)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.32
NR1H2 P55055 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL1296518 0.98 HPGD (0.33) CTSKNR1H2TDP1HPGD
SCHEMBL7477261 0.96 CTSK (0.32) CTSKNR1H2TDP1HPGD
SCHEMBL7603453 0.82 EPHX1 (0.31) CTSK
SCHEMBL585129 0.82 CHRM2 (0.40) NR1H2HPGD
SCHEMBL9178020 0.81 BBOX1 (0.32) CTSK
SCHEMBL1786719 0.81 EPHX1 (0.30) CTSK
SCHEMBL6701925 0.81 EPHX1 (0.30) CTSK
SCHEMBL5797913 0.79 KDM4E (0.31)
SCHEMBL4040718 0.78 NR1H2 (0.30) NR1H2TDP1
SCHEMBL14896297 0.72 DGAT1 (0.32) CTSK

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023584-B2 Radiation-sensitive composition, and compound JSR CORPORATION (JP) 2015-05-05 US disclosed
US-20130280658-A1 RADIATION-SENSITIVE COMPOSITION, AND COMPOUND JSR CORPORATION (JP) 2013-10-24 US disclosed
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2010-04-29 US disclosed
US-7629337-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2009-12-08 US disclosed
US-7183273-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2007-02-27 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20060264434-A1 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2006-11-23 US disclosed
EP-1163238-B1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-05-31 EP disclosed
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-25 US disclosed
US-6750348-B1 PROTECTIVE EFFECTS AGAINST INFECTION BY HIV THROUGH BINDING TO CHEMOKINE RECEPTORS, INCLUDING CXCR4 AND CCR5;N-(2-PYRIDINYLMETHYL)-N'-(2-(PHENYLUREIDO)ETHYL)-N'-(5,6,7,8-TETRAHYDRO-8-QUINOLINYL)-1,4-BENZENEDIMETHANAMINE ANORMED, INC. (CA) 2004-06-15 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1047690-B1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2004-03-24 EP disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP disclosed
US-6437138-B1 5-BROMO-6-CHLORO-3-(2-(S)-AZETIDINYL OR PYRROLIDINYL-METHOXY) PYRIDINE INTERMEDIATES FOR THE 5-SUBSTITUTED COMPOUNDS WHICH ARE POTENT LIGANDS AT NEURONAL NICOTINIC CHOLINERGIC CHANNEL RECEPTORS, NEUROTRANSMITTER CONTROLLING AGENTS ABBOTT LABORATORIES 2002-08-20 US disclosed
EP-1163238-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-12-19 EP disclosed
EP-0846114-B1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2001-12-05 EP disclosed
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US disclosed
WO-2000056729-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2000-09-28 WO disclosed
US-5629325-A TREATMENT OF NERVOUS SYSTEM DISORDERS; NEURONAL NICOTINIC CHOLINERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1997-05-13 US 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 (4 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-20060264434-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 CTSK 3800/4885NR1H2 158/4885TDP1 4875/4885
US-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CXCR4, CCR5, CXCR3 CTSK 1971/4885NR1H2 108/4885TDP1 4713/4885
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 CTSK 3982/4885NR1H2 533/4885TDP1 4666/4885
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 CTSK 3755/4885NR1H2 109/4885TDP1 4874/4885

“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.