SCHEMBL9105949

SCHEMBL9105949

CCC(C)N1CCCC1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
ACE P12821 6/20 0.47
REN P00797 4/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
F2 P00734 1/20 0.47
LTA4H P09960 1/20 0.47
MAPT P10636 1/20 0.47
PEPD P12955 1/20 0.47
ALOX15 P16050 1/20 0.47
PTGS1 P23219 1/20 0.47
HTR2A P28223 1/20 0.47
PTGS2 P35354 1/20 0.47
HRH1 P35367 1/20 0.47
THPO P40225 1/20 0.47
PMP22 Q01453 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
RAB9A P51151 1/20 0.46
CYP2C19 P33261 1/20 0.41

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
SCHEMBL17335862 1.00 L3MBTL1 (0.52) L3MBTL1ACERENLMNAHSD17B10
SCHEMBL58729 0.95 L3MBTL1 (0.48) L3MBTL1ACERENLMNAHSD17B10
SCHEMBL12202698 0.95 L3MBTL1 (0.48) L3MBTL1ACERENLMNAHSD17B10
SCHEMBL5702217 0.89 L3MBTL1 (0.42) L3MBTL1ACERENLMNAHSD17B10
SCHEMBL5196736 0.89 L3MBTL1 (0.42) L3MBTL1ACERENLMNAHSD17B10
SCHEMBL5701987 0.89 L3MBTL1 (0.42) L3MBTL1ACERENLMNAHSD17B10
SCHEMBL1955287 0.84 ACE (0.45) ACERENLMNAHSD17B10KDM4E
SCHEMBL13101915 0.84 ACE (0.45) ACERENLMNAHSD17B10KDM4E
SCHEMBL27496955 0.82 ACE (0.44) ACERENLMNAHSD17B10KDM4E
SCHEMBL4312891 0.81 ACE (0.46) ACERENLMNAHSD17B10KDM4E

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-3155436-B1 ISOBARIC MASS LABELS ELECTROPHORETICS LTD (GB) 2023-08-30 EP disclosed
US-20170146549-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-05-25 US disclosed
EP-3155436-A1 ISOBARIC MASS LABELS Electrophoretics Limited (GB) 2017-04-19 EP disclosed
WO-2015189413-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2015-12-17 WO disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 L3MBTL1 4514/4885ACE 3990/4885REN 3530/4885
US-20170146549-A1 ISOBARIC MASS LABELS SRMS, PTMS, QPCTL L3MBTL1 102/4885ACE 1047/4885REN 22/4885

“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.