SCHEMBL3316845

SCHEMBL3316845

CC12CC3CC(C)(C1)CC(C(=O)N[C@H]1CCCNC(=O)C1)(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
GAA P10253 3/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.41
CCR2 P41597 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
P2RX7 Q99572 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 5/20 0.39

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
SCHEMBL5172985 1.00 ALOX15 (0.44) ALOX15GAAALOX12HTTCCR2
SCHEMBL3318233 0.89 HPGD (0.37) GAAALOX12CCR2POLBSMN1; SMN2
SCHEMBL719799 0.83 CCR2 (0.58) GAACCR2KMT2APOLBSMN1; SMN2
SCHEMBL1065451 0.80 GAA (0.47) GAACCR2POLBP2RX7NPC1
SCHEMBL2987304 0.79 GAA (0.46) GAACCR2KMT2APOLBSMN1; SMN2
SCHEMBL2979314 0.79 GAA (0.65) GAACCR2MEN1KMT2APOLB
SCHEMBL1080974 0.76 CCR2 (0.58) GAACCR2KMT2AP2RX7
SCHEMBL3739007 0.74 EPHX2 (0.33) EPHX2
SCHEMBL8312942 0.72 ALDH1A1 (0.42) CCR2
SCHEMBL9162699 0.72 ALDH1A1 (0.42) CCR2

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 11 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
EP-1781299-A1 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Limited (GB) 2007-05-09 EP disclosed
WO-2006016152-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2006-02-16 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 (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 ALOX15 185/4885GAA 1896/4885ALOX12 301/4885
US-20100292213-A1 Anti-Inflammatory Agents TNF, IL1RN, IL1R1 ALOX15 208/4885GAA 1878/4885ALOX12 318/4885

“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.