SCHEMBL13006178

SCHEMBL13006178

O=C1NCCCCC1NC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 1.00
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.45
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44

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
SCHEMBL195373 1.00 CCR2 (1.00) CCR2RAB9AALDH1A1KDM4ENPC1
SCHEMBL12292044 0.99 CCR2 (0.97) CCR2RAB9AALDH1A1KDM4ENPC1
SCHEMBL3802103 0.96 CCR2 (0.92) CCR2RAB9AALDH1A1KDM4E
SCHEMBL12292042 0.96 CCR2 (0.92) CCR2RAB9AALDH1A1KDM4E
SCHEMBL12292046 0.90 CCR2 (0.81) CCR2ALDH1A1
SCHEMBL13483782 0.87 CCR2 (0.77) CCR2RAB9AALDH1A1KDM4E
SCHEMBL12799207 0.87 CCR2 (0.77) CCR2RAB9AALDH1A1KDM4E
SCHEMBL13013126 0.86 CCR2 (0.75) CCR2RAB9AKDM4E
SCHEMBL12849249 0.86 CCR2 (0.75) CCR2RAB9AALDH1A1KDM4ENPC1
SCHEMBL3259739 0.82 CCR2 (0.69) CCR2KDM4E

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 7 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-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-7662967-B2 Anti-inflammatory compounds and compositions CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-02-16 US disclosed
US-20090036486-A1 3-(2',2'-Dimethylpropanoylamino)tetrahydropyridin-2-one for prevention or treatment of inflammatory disorders, autoimmune diseases CAMBRIDGE ENTERPRISE LIMITED THE OLD SCHOOLS (GB) 2009-02-05 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 (3 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 96/4885RAB9A 2491/4885ALDH1A1 2239/4885
US-20090036486-A1 3-(2',2'-Dimethylpropanoylamino)tetrahydropyridin-2-one for prevention or treatment of inflammatory disorders, autoimmune diseases TNF, NFKBIA, TPMT CCR2 207/4885RAB9A 3490/4885ALDH1A1 856/4885
US-20100292213-A1 Anti-Inflammatory Agents TNF, IL1RN, IL1R1 CCR2 121/4885RAB9A 2291/4885ALDH1A1 2482/4885

“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.