SCHEMBL1114598

SCHEMBL1114598

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.48
SIGMAR1 Q99720 1/20 0.38
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CXCR4 P61073 1/20 0.36
NOD1 Q9Y239 1/20 0.36
ABCB1 P08183 1/20 0.36
CTSK P43235 2/20 0.35
EPHX1 P07099 3/20 0.34
CTSL P07711 2/20 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
SCHEMBL1114804 1.00 CCR2 (0.48) CCR2SIGMAR1CCR1CCR5CXCR4
SCHEMBL1114696 0.87 CCR2 (0.63) CCR2SIGMAR1CCR1CCR5CXCR4
SCHEMBL1114824 0.79 SIGMAR1 (0.44) CCR2SIGMAR1CCR1CCR5CXCR4
SCHEMBL1114664 0.79 CCR2 (0.43) CCR2SIGMAR1CCR1CCR5CXCR4
SCHEMBL1114718 0.78 CA1 (0.41) CCR2SIGMAR1
SCHEMBL1114672 0.77 CCR2 (0.60) CCR2NOD1
SCHEMBL1114932 0.77 CCR2 (0.60) CCR2NOD1
SCHEMBL1114852 0.77 CCR2 (0.60) CCR2NOD1
SCHEMBL1114962 0.77 CCR2 (0.60) CCR2NOD1
SCHEMBL1114444 0.77 CCR2 (0.60) CCR2NOD1

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 5 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-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 1075/4885SIGMAR1 2639/4885CCR1 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.