SCHEMBL718704

SCHEMBL718704

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

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.63
CCR1 P32246 1/20 0.63
CCR5 P51681 1/20 0.63
CXCR4 P61073 1/20 0.63
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
EPHX1 P07099 5/20 0.37

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
SCHEMBL1114798 1.00 CCR2 (0.63) CCR2CCR1CCR5CXCR4GNAI3
SCHEMBL1114624 0.90 CCR2 (0.60) CCR2CCR1CCR5CXCR4
SCHEMBL1114860 0.85 CCR2 (0.58) CCR2CCR1CCR5CXCR4
SCHEMBL195514 0.85 CCR2 (0.46) CCR2CCR1CCR5CXCR4
SCHEMBL1114608 0.84 CCR2 (0.64) CCR2CCR1CCR5CXCR4GNAI3
SCHEMBL1114778 0.82 CCR2 (0.62) CCR2CCR1CCR5CXCR4
SCHEMBL1114664 0.82 CCR2 (0.43) CCR2CCR1CCR5CXCR4EPHX1
SCHEMBL2367711 0.81 CCR2 (0.93) CCR2CCR1CCR5CXCR4
SCHEMBL3688609 0.81 CCR2 (0.93) CCR2CCR1CCR5CXCR4
SCHEMBL1114672 0.80 CCR2 (0.60) CCR2GNAI3GNAO1GNAI1

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 22 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-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
EP-1691814-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-08-23 EP claimed
WO-2005053702-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2005-06-16 WO 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-20120053076-A1 METHODS FOR IDENTIFICATION CAMBRIDGE ENTERPRISE LIMITED 2012-03-01 US disclosed
US-7897620-B2 Methods of using anti-inflammatory compounds CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-03-01 US disclosed
EP-2185151-A1 ANTI-INFLAMMATORY COMPOSITION Cambridge Enterprise Ltd. (GB) 2010-05-19 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
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
WO-2009016390-A1 ANTI-INFLAMMATORY COMPOSITION CAMBRIDGE ENTERPRISE LIMITED (GB) 2009-02-05 WO 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 (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-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 1075/4885CCR1 288/4885CCR5 1756/4885
US-20150141460-A1 Anti-inflammatory Compositions TNF, PTGES2, IL1B CCR2 94/4885CCR1 200/4885CCR5 296/4885
US-20090036486-A1 3-(2',2'-Dimethylpropanoylamino)tetrahydropyridin-2-one for prevention or treatment of inflammatory disorders, autoimmune diseases TNF, NFKBIA, TPMT CCR2 207/4885CCR1 214/4885CCR5 706/4885
US-20100113518-A1 METHODS OF USING ANTI-INFLAMMATORY COMPOUNDS TNF, PTGES2, MMP8 CCR2 133/4885CCR1 243/4885CCR5 308/4885

“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.