SCHEMBL1114461

SCHEMBL1114461

CC(C)(C)C(=O)N[C@H]1CCCNC(=O)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.54
ALDH1A1 P00352 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CXCR4 P61073 1/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1114860 0.85 CCR2 (0.58) CCR2PDK1PDK2PDK3PDK4
SCHEMBL1114624 0.83 CCR2 (0.60) CCR2PDK1PDK2PDK3PDK4
SCHEMBL9162699 0.82 ALDH1A1 (0.42) CCR2ALDH1A1CA12CA1CA2
SCHEMBL8312942 0.82 ALDH1A1 (0.42) CCR2ALDH1A1CA12CA1CA2
SCHEMBL8325782 0.82 BTK (0.51) CCR2CA1CA2KMT2A
SCHEMBL7097599 0.82 BTK (0.51) CCR2CA1CA2KMT2A
SCHEMBL1114802 0.80 CCR2 (0.62) CCR2PDK1PDK2PDK3PDK4
SCHEMBL1114778 0.80 CCR2 (0.62) CCR2CCR1CCR5CXCR4
SCHEMBL718704 0.79 CCR2 (0.63) CCR2CCR1CCR5CXCR4
SCHEMBL1114798 0.79 CCR2 (0.63) CCR2CCR1CCR5CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691814-B9 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2013-02-20 EP claimed
EP-1691814-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2012-07-25 EP claimed
US-20110150873-A1 ANTI-INFLAMMATORY COMPOSITIONS AND COMBINATIONS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-06-23 US claimed
US-20080227724-A1 3-(alkanoyl or alkenoyl)amino-caprolactams; autoimmune diseases, asthma, osteoporosis, transplant rejection, psoriasis, Alzheimer's Disease, Multiple sclerosis, ALS; antitumor, antiarthritic, antifibrotic, and antiscarring agents CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2008-09-18 US claimed
US-20150141460-A1 Anti-inflammatory Compositions CAMBRIDGE ENTERPRISE LIMITED (GB) 2015-05-21 US disclosed
US-8853200-B2 Treatment of rheumatoid arthritis with 3-amino lactam compounds CAMBRIDGE ENTERPRISE LIMITED (GB) 2014-10-07 US disclosed
EP-2572716-A1 Anti-inflammatory Composition Cambridge Enterprise Limited (GB) 2013-03-27 EP disclosed
EP-1691814-B9 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2013-02-20 EP disclosed
EP-1691814-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2012-07-25 EP disclosed
US-20110150873-A1 ANTI-INFLAMMATORY COMPOSITIONS AND COMBINATIONS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-06-23 US disclosed
US-7897620-B2 Methods of using anti-inflammatory compounds CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-03-01 US disclosed
EP-2279741-A2 Caprolactams and their use as anti-inflammatory agents Cambridge Enterprise Ltd. (GB) 2011-02-02 EP disclosed
US-20100113518-A1 METHODS OF USING ANTI-INFLAMMATORY COMPOUNDS CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-05-06 US disclosed
US-7662967-B2 Anti-inflammatory compounds and compositions CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-02-16 US disclosed
WO-2009074794-A2 ANTI-INFLAMMATORY COMPOSITIONS AND COMBINATIONS CAMBRIDGE ENTERPRISE LIMITED (GB) 2009-06-18 WO disclosed
WO-2009016390-A1 ANTI-INFLAMMATORY COMPOSITION CAMBRIDGE ENTERPRISE LIMITED (GB) 2009-02-05 WO disclosed
US-20090036486-A1 3-(2',2'-Dimethylpropanoylamino)tetrahydropyridin-2-one for prevention or treatment of inflammatory disorders, autoimmune diseases CAMBRIDGE ENTERPRISE LIMITED THE OLD SCHOOLS (GB) 2009-02-05 US disclosed
US-20080227724-A1 3-(alkanoyl or alkenoyl)amino-caprolactams; autoimmune diseases, asthma, osteoporosis, transplant rejection, psoriasis, Alzheimer's Disease, Multiple sclerosis, ALS; antitumor, antiarthritic, antifibrotic, and antiscarring agents CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2008-09-18 US disclosed
EP-1691814-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-08-23 EP disclosed
WO-2005053702-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2005-06-16 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 (5 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-20080227724-A1 3-(alkanoyl or alkenoyl)amino-caprolactams; autoimmune diseases, asthma, osteoporosis, transplant rejection, psoriasis, Alzheimer's Disease, Multiple sclerosis, ALS; antitumor, antiarthritic, antifibrotic, and antiscarring agents SMURF1, SMURF2, PSEN1 CCR2 1075/4885ALDH1A1 1775/4885CA12 1577/4885
US-20150141460-A1 Anti-inflammatory Compositions TNF, PTGES2, IL1B CCR2 94/4885ALDH1A1 668/4885CA12 3341/4885
US-20090036486-A1 3-(2',2'-Dimethylpropanoylamino)tetrahydropyridin-2-one for prevention or treatment of inflammatory disorders, autoimmune diseases TNF, NFKBIA, TPMT CCR2 207/4885ALDH1A1 856/4885CA12 2407/4885
US-20100113518-A1 METHODS OF USING ANTI-INFLAMMATORY COMPOUNDS TNF, PTGES2, MMP8 CCR2 133/4885ALDH1A1 596/4885CA12 1489/4885
US-20110150873-A1 ANTI-INFLAMMATORY COMPOSITIONS AND COMBINATIONS CCL2, CCL5, CXCL10 CCR2 5/4885ALDH1A1 2726/4885CA12 1437/4885

“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.