SCHEMBL719799

SCHEMBL719799

O=C1C[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)CCCN1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.58
EPHX1 P07099 4/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 1/20 0.37
EPHX2 P34913 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1065451 0.87 GAA (0.47) CCR2EPHX1GAAALDH1A1POLB
SCHEMBL2979314 0.86 GAA (0.65) CCR2EPHX1GAAALDH1A1POLB
SCHEMBL2987304 0.86 GAA (0.46) CCR2EPHX1GAAALDH1A1POLB
SCHEMBL3316845 0.83 ALOX15 (0.44) CCR2GAAPOLBKMT2ASMN1; SMN2
SCHEMBL5172985 0.83 ALOX15 (0.44) CCR2GAAPOLBKMT2ASMN1; SMN2
SCHEMBL3318233 0.81 HPGD (0.37) CCR2GAAALDH1A1POLBSMN1; SMN2
SCHEMBL3316925 0.80 CCR2 (0.60) CCR2EPHX1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3802103 0.77 CCR2 (0.92) CCR2EPHX1ALDH1A1POLBRAB9A
SCHEMBL12292042 0.77 CCR2 (0.92) CCR2EPHX1ALDH1A1POLBRAB9A
SCHEMBL16064908 0.77 GAA (0.66) CCR2EPHX1GAAALDH1A1KMT2A

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 16 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
EP-1781299-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2010-12-22 EP 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
EP-2401611-B1 IMPROVED METHODS FOR IDENTIFICATION CAMBRIDGE ENTPR LTD (GB) 2013-11-06 EP disclosed
US-20130203734-A1 ANTI-INFLAMMATORY AGENTS GRAINGER DAVID JOHN (GB) 2013-08-08 US disclosed
US-8497261-B2 3-aminocaprolactam compounds for treating inflammatory disorders CAMBRIDGE ENTERPRISE LIMITED (GB) 2013-07-30 US disclosed
US-20120115742-A1 METHODS FOR IDENTIFICATION CAMBRIDGE ENTERPRISE LIMITED (GB) 2012-05-10 US disclosed
US-20120053076-A1 METHODS FOR IDENTIFICATION CAMBRIDGE ENTERPRISE LIMITED 2012-03-01 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
EP-1896036-A1 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Limited (GB) 2008-03-12 EP disclosed
WO-2006134384-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2006-12-21 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 (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 96/4885EPHX1 1819/4885GAA 1896/4885
US-20130203734-A1 ANTI-INFLAMMATORY AGENTS IL6, TNF, IL1B CCR2 94/4885EPHX1 1152/4885GAA 2059/4885
US-20100292213-A1 Anti-Inflammatory Agents TNF, IL1RN, IL1R1 CCR2 121/4885EPHX1 1677/4885GAA 1878/4885

“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.