SCHEMBL1114636

SCHEMBL1114636

CCCCCC(=O)NC1CCCNC(=O)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.57
GNAI3 P08754 1/20 0.55
GNAO1 P09471 1/20 0.55
GNAI1 P63096 1/20 0.55
NAAA Q02083 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
NOD1 Q9Y239 1/20 0.46
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1114932 0.99 CCR2 (0.60) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114852 0.99 CCR2 (0.60) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114444 0.99 CCR2 (0.60) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114510 0.99 CCR2 (0.60) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114670 0.99 CCR2 (0.60) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114672 0.99 CCR2 (0.60) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114962 0.99 CCR2 (0.60) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114779 0.92 MEN1 (0.54) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114637 0.92 MEN1 (0.54) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114881 0.92 MEN1 (0.54) CCR2GNAI3GNAO1GNAI1NAAA

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-1781290-A2 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Limited (GB) 2007-05-09 EP disclosed
EP-1781299-A1 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 CCR2 1075/4885GNAI3 4399/4885GNAO1 4185/4885
US-20080076755-A1 Anti-Inflammatory Agents IL1R1, TNF, FPR1 CCR2 99/4885GNAI3 2984/4885GNAO1 3053/4885
US-20080194541-A1 Anti-Inflammatory Agents TNF, IL1RN, FPR1 CCR2 96/4885GNAI3 3320/4885GNAO1 3141/4885
US-20100292213-A1 Anti-Inflammatory Agents TNF, IL1RN, IL1R1 CCR2 121/4885GNAI3 2956/4885GNAO1 2426/4885

“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.