SCHEMBL1114560

SCHEMBL1114560

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CXCR4 P61073 1/20 0.41
EPHX1 P07099 3/20 0.32
PRCP P42785 1/20 0.32

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
SCHEMBL1114533 0.80 PSEN1 (0.38) CCR2CCR1CCR5CXCR4
SCHEMBL1114763 0.80 PSEN1 (0.38) CCR2CCR1CCR5CXCR4
SCHEMBL1114447 0.80 PSEN1 (0.38) CCR2CCR1CCR5CXCR4
SCHEMBL1114579 0.80 PSEN1 (0.38) CCR2CCR1CCR5CXCR4
SCHEMBL1114595 0.80 PSEN1 (0.38) CCR2CCR1CCR5CXCR4
SCHEMBL1114798 0.76 CCR2 (0.63) CCR2CCR1CCR5CXCR4EPHX1
SCHEMBL718704 0.76 CCR2 (0.63) CCR2CCR1CCR5CXCR4EPHX1
SCHEMBL1114608 0.74 CCR2 (0.64) CCR2CCR1CCR5CXCR4EPHX1
SCHEMBL3435817 0.72 GNAI3 (0.47) CCR2EPHX1PRCP
SCHEMBL1114793 0.71 EPHX1 (0.64) EPHX1PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279741-A2 Caprolactams and their use as anti-inflammatory agents Cambridge Enterprise Ltd. (GB) 2011-02-02 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-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

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 1075/4885CCR1 288/4885CCR5 1756/4885

“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.