SCHEMBL12849253

SCHEMBL12849253

CC(C)(C)C(=O)N[C@H]1CCCCNC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 1.00
CCR1 P32246 1/20 0.64
CCR5 P51681 1/20 0.64
CXCR4 P61073 1/20 0.64
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.52

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
SCHEMBL13605161 1.00 CCR2 (1.00) CCR2CCR1CCR5CXCR4RAB9A
SCHEMBL196068 0.95 CCR2 (0.91) CCR2CCR1CCR5CXCR4RAB9A
SCHEMBL195030 0.95 CCR2 (0.91) CCR2CCR1CCR5CXCR4RAB9A
SCHEMBL12233199 0.95 CCR2 (0.91) CCR2CCR1CCR5CXCR4RAB9A
SCHEMBL1990719 0.88 CCR2 (0.79) CCR2CCR1CCR5CXCR4RAB9A
SCHEMBL12206759 0.88 CCR2 (0.79) CCR2CCR1CCR5CXCR4RAB9A
SCHEMBL12207219 0.88 CCR2 (0.79) CCR2CCR1CCR5CXCR4RAB9A
SCHEMBL13713487 0.85 CCR2 (0.80) CCR2CCR1CCR5CXCR4RAB9A
SCHEMBL3954242 0.81 CCR2 (0.69) CCR2RAB9ANPC1
SCHEMBL8317734 0.81 CCR2 (0.69) CCR2RAB9ANPC1

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-2572716-A1 Anti-inflammatory Composition Cambridge Enterprise Limited (GB) 2013-03-27 EP disclosed
US-7897620-B2 Methods of using anti-inflammatory compounds CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-03-01 US disclosed
US-20100324089-A1 Anti-inflammatory composition CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-12-23 US disclosed
US-20100113518-A1 METHODS OF USING ANTI-INFLAMMATORY COMPOUNDS CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-05-06 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

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-20100324089-A1 Anti-inflammatory composition TNF, IL1B, IL1A CCR2 85/4885CCR1 169/4885CCR5 284/4885
US-20090036486-A1 3-(2',2'-Dimethylpropanoylamino)tetrahydropyridin-2-one for prevention or treatment of inflammatory disorders, autoimmune diseases TNF, NFKBIA, TPMT CCR2 207/4885CCR1 214/4885CCR5 706/4885
US-20100113518-A1 METHODS OF USING ANTI-INFLAMMATORY COMPOUNDS TNF, PTGES2, MMP8 CCR2 133/4885CCR1 243/4885CCR5 308/4885

“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.