SCHEMBL1065451

SCHEMBL1065451

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CCR2 P41597 3/20 0.45
PREP P48147 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD11B1 P28845 1/20 0.39
CNR2 P34972 3/20 0.38
CNR1 P21554 2/20 0.38
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL719799 0.87 CCR2 (0.58) GAASMN1; SMN2CCR2CYP1A2CYP3A4
SCHEMBL2987304 0.87 GAA (0.46) GAAKDM4ESMN1; SMN2CCR2CYP1A2
SCHEMBL2979314 0.87 GAA (0.65) GAAKDM4ESMN1; SMN2CCR2CYP1A2
SCHEMBL5172985 0.80 ALOX15 (0.44) GAASMN1; SMN2CCR2P2RX7POLB
SCHEMBL3316845 0.80 ALOX15 (0.44) GAASMN1; SMN2CCR2P2RX7POLB
SCHEMBL3318233 0.77 HPGD (0.37) GAASMN1; SMN2CCR2ALDH1A1POLB
SCHEMBL12799207 0.77 CCR2 (0.77) GAAKDM4ESMN1; SMN2CCR2HSD11B1
SCHEMBL13483782 0.77 CCR2 (0.77) GAAKDM4ESMN1; SMN2CCR2HSD11B1
SCHEMBL3316925 0.72 CCR2 (0.60) SMN1; SMN2CCR2P2RX7ALDH1A1EPHX2
SCHEMBL14503263 0.70 GAA (0.79) GAAKDM4ESMN1; SMN2CCR2CYP1A2

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-1896036-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2013-01-23 EP claimed
EP-1896036-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2013-01-23 EP disclosed
US-8076323-B2 Anti-inflammatory agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-12-13 US disclosed
US-20110003792-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-01-06 US disclosed
US-7803794-B2 Anti-inflammatory agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-09-28 US disclosed
US-20100016286-A1 Anti-Inflammatory Agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-01-21 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-20100016286-A1 Anti-Inflammatory Agents TNF, LTC4S, IL6 GAA 3427/4885KDM4E 3038/4885SMN1; SMN2 4197/4885
US-20110003792-A1 ANTI-INFLAMMATORY AGENTS TNF, LTC4S, PTGS1 GAA 3634/4885KDM4E 3182/4885SMN1; SMN2 4372/4885

“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.