SCHEMBL1114601

SCHEMBL1114601

NC(=O)CCC1CC(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.50
ITGA5 P08648 2/20 0.50
ITGB3 P05106 1/20 0.50
ITGB2 P05107 1/20 0.50
ITGAV P06756 1/20 0.50
ITGA2B P08514 1/20 0.50
ITGB5 P18084 1/20 0.50
ITGAL P20701 1/20 0.50
GAA P10253 2/20 0.41
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CREBBP Q92793 2/20 0.33
BRD4 O60885 1/20 0.33
APEX1 P27695 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.31
TARDBP Q13148 1/20 0.31

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
SCHEMBL7264417 0.81 ITGB1 (0.63) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL10645217 0.79 GAA (0.38) GAADDB1CRBN
SCHEMBL385148 0.73 ITGB1 (0.59) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL386052 0.73 ITGB1 (0.59) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL9661583 0.73
SCHEMBL9184177 0.73
SCHEMBL18121297 0.72 GAA (0.46) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL10638500 0.70
SCHEMBL8695810 0.70
SCHEMBL1114540 0.69

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497261-B2 3-aminocaprolactam compounds for treating inflammatory disorders CAMBRIDGE ENTERPRISE LIMITED (GB) 2013-07-30 US 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-8008288-B2 4-(Adamantane-1-carbonylamino)-3-oxo-2-aza-bicyclo[2.2.2]octane; 5-(Adamantane-1-carbonylamino)-10-oxo-9-aza-bicyclo[3.3.2]decane for treating autoimmune diseases, vascular disorders, viral infection or replication, asthma, osteoporosis, tumor growth, rheumatoid arthritis, organ transplant rejection CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-30 US disclosed
EP-2279741-A2 Caprolactams and their use as anti-inflammatory agents Cambridge Enterprise Ltd. (GB) 2011-02-02 EP disclosed
EP-1781299-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2010-12-22 EP disclosed
EP-1781290-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2010-12-08 EP disclosed
US-20100292213-A1 Anti-Inflammatory Agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-11-18 US disclosed
US-7691845-B2 Anti-inflammatory agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-04-06 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
US-20080194541-A1 Anti-Inflammatory Agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2008-08-14 US disclosed
US-20080076755-A1 Anti-Inflammatory Agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2008-03-27 US disclosed
EP-1781299-A1 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Limited (GB) 2007-05-09 EP disclosed
EP-1781290-A2 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Limited (GB) 2007-05-09 EP disclosed
EP-1691814-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-08-23 EP disclosed
WO-2006018609-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2006-02-23 WO disclosed
WO-2006016152-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2006-02-16 WO 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 ITGB1 2778/4885ITGA5 3411/4885ITGB3 2668/4885
US-20080076755-A1 Anti-Inflammatory Agents IL1R1, TNF, FPR1 ITGB1 1634/4885ITGA5 2751/4885ITGB3 2419/4885
US-20080194541-A1 Anti-Inflammatory Agents TNF, IL1RN, FPR1 ITGB1 2149/4885ITGA5 2837/4885ITGB3 2241/4885
US-20100292213-A1 Anti-Inflammatory Agents TNF, IL1RN, IL1R1 ITGB1 2158/4885ITGA5 3015/4885ITGB3 2095/4885

“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.