SCHEMBL3316920

SCHEMBL3316920

CCCCCC1CCC(C(=O)N[C@H]2CCCCNC2=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 1.00
CCR1 P32246 1/20 0.60
CCR5 P51681 1/20 0.60
CXCR4 P61073 1/20 0.60
HTT P42858 1/20 0.50
NOD1 Q9Y239 1/20 0.49
NAAA Q02083 1/20 0.46

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
SCHEMBL17557249 0.81 CCR2 (0.68) CCR2NAAA
SCHEMBL17557250 0.81 CCR2 (0.68) CCR2NAAA
SCHEMBL16071259 0.81 CCR2 (0.68) CCR2NAAA
SCHEMBL13006179 0.79 CCR2 (1.00) CCR2
SCHEMBL3319001 0.79 CCR2 (1.00) CCR2
SCHEMBL3743288 0.76 CCR2 (0.61) CCR2CCR1CCR5CXCR4HTT
SCHEMBL27476000 0.76 CCR2 (1.00) CCR2CCR1CCR5CXCR4NOD1
SCHEMBL8378854 0.76 CCR2 (1.00) CCR2CCR1CCR5CXCR4NOD1
SCHEMBL8379050 0.76 CCR2 (1.00) CCR2CCR1CCR5CXCR4NOD1
SCHEMBL28421652 0.76 CCR2 (0.61) CCR2NAAA

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 9 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 claimed
US-20100292213-A1 Anti-Inflammatory Agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-11-18 US claimed
US-7691845-B2 Anti-inflammatory agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-04-06 US claimed
US-20080194541-A1 Anti-Inflammatory Agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2008-08-14 US claimed
US-8497261-B2 3-aminocaprolactam compounds for treating inflammatory disorders CAMBRIDGE ENTERPRISE LIMITED (GB) 2013-07-30 US disclosed
EP-1781299-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2010-12-22 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-20080194541-A1 Anti-Inflammatory Agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2008-08-14 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 (2 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-20080194541-A1 Anti-Inflammatory Agents TNF, IL1RN, FPR1 CCR2 96/4885CCR1 137/4885CCR5 126/4885
US-20100292213-A1 Anti-Inflammatory Agents TNF, IL1RN, IL1R1 CCR2 121/4885CCR1 160/4885CCR5 145/4885

“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.