SCHEMBL3108291

SCHEMBL3108291

CN(C(=O)C1CCCCC1)[C@H]1CCCNC(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.40
CCR5 P51681 1/20 0.38
KMT2A Q03164 2/20 0.37
CCR2 P41597 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.33
BUB1 O43683 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4618063 0.82 MGLL (0.31) MGLLHPGDTSHRL3MBTL1
SCHEMBL9001707 0.77 CCR5 (0.49) MGLLCCR5KMT2AHPGDTSHR
SCHEMBL243663 0.74 CCR2 (0.49) CCR2L3MBTL1
SCHEMBL9001720 0.73 CCR5 (0.43) MGLLCCR5HPGDTSHRGFER
SCHEMBL9001740 0.73 CCR5 (0.47) MGLLCCR5KMT2AHPGDTSHR
SCHEMBL15421839 0.73 SLC6A1 (0.47) CCR5KMT2ATSHRKDM4EATM
SCHEMBL9001721 0.73 CCR5 (0.46) MGLLCCR5KMT2AHPGDTSHR
SCHEMBL8271683 0.73 FAAH (0.47) MGLLCCR5KMT2AHPGDTSHR
SCHEMBL9001724 0.73 FAAH (0.47) MGLLCCR5KMT2AHPGDTSHR
SCHEMBL18700757 0.71 RAB9A (0.40) MGLLCCR5KMT2APDE3BPDE3A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896036-A1 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Limited (GB) 2008-03-12 EP claimed
WO-2006134384-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2006-12-21 WO claimed
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
EP-1896036-A1 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Limited (GB) 2008-03-12 EP 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
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 (1 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 MGLL 695/4885CCR5 205/4885KMT2A 4044/4885

“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.