SCHEMBL1114802

SCHEMBL1114802

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.62
L3MBTL1 Q9Y468 1/20 0.41
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CXCR4 P61073 1/20 0.37
TRPV1 Q8NER1 2/20 0.33
KDM1A O60341 1/20 0.31
SSTR1 P30872 1/20 0.31
SSTR4 P31391 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL1114860 0.83 CCR2 (0.58) CCR2CCR1CCR5CXCR4SSTR1
SCHEMBL1114624 0.81 CCR2 (0.60) CCR2CCR1CCR5CXCR4SSTR1
SCHEMBL1114461 0.80 CCR2 (0.54) CCR2CCR1CCR5CXCR4PDK1
SCHEMBL195514 0.79 CCR2 (0.46) CCR2CCR1CCR5CXCR4TRPV1
SCHEMBL1114778 0.78 CCR2 (0.62) CCR2L3MBTL1CCR1CCR5CXCR4
SCHEMBL718704 0.77 CCR2 (0.63) CCR2CCR1CCR5CXCR4
SCHEMBL1114798 0.77 CCR2 (0.63) CCR2CCR1CCR5CXCR4
SCHEMBL9162699 0.75 ALDH1A1 (0.42) CCR2L3MBTL1KDM1A
SCHEMBL8312942 0.75 ALDH1A1 (0.42) CCR2L3MBTL1KDM1A
SCHEMBL7097599 0.72 BTK (0.51) CCR2L3MBTL1KDM1A

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
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-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
EP-2279741-A2 Caprolactams and their use as anti-inflammatory agents Cambridge Enterprise Ltd. (GB) 2011-02-02 EP 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 (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-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 1075/4885L3MBTL1 187/4885CCR1 288/4885

“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.