SCHEMBL2979314

SCHEMBL2979314

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

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
THRB P10828 1/20 0.51
CCR2 P41597 3/20 0.44
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
P2RX7 Q99572 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX1 P07099 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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) GAATHRBCCR2CYP1A2CYP3A4
SCHEMBL719799 0.86 CCR2 (0.58) GAACCR2CYP1A2CYP3A4CYP2D6
SCHEMBL2987304 0.86 GAA (0.46) GAATHRBCCR2CYP1A2CYP3A4
SCHEMBL3259739 0.81 CCR2 (0.69) GAATHRBCCR2P2RX7KDM4E
SCHEMBL3316845 0.79 ALOX15 (0.44) GAACCR2P2RX7SMN1; SMN2MEN1
SCHEMBL5172985 0.79 ALOX15 (0.44) GAACCR2P2RX7SMN1; SMN2MEN1
SCHEMBL13013126 0.78 CCR2 (0.75) GAATHRBCCR2KDM4ESMN1; SMN2
SCHEMBL3318233 0.76 HPGD (0.37) GAACCR2SMN1; SMN2ALDH1A1POLB
SCHEMBL3744094 0.74 GAA (0.36) GAATHRB
SCHEMBL3316925 0.71 CCR2 (0.60) CCR2P2RX7SMN1; SMN2EPHX1MEN1

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
EP-2229184-A2 ANTI-INFLAMMATORY COMPOSITIONS AND COMBINATIONS Cambridge Enterprise Ltd. (GB) 2010-09-22 EP disclosed
US-7691845-B2 Anti-inflammatory agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-04-06 US disclosed
WO-2009074794-A2 ANTI-INFLAMMATORY COMPOSITIONS AND COMBINATIONS CAMBRIDGE ENTERPRISE LIMITED (GB) 2009-06-18 WO 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 GAA 1896/4885THRB 4810/4885CCR2 96/4885
US-20100292213-A1 Anti-Inflammatory Agents TNF, IL1RN, IL1R1 GAA 1878/4885THRB 4799/4885CCR2 121/4885

“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.