SCHEMBL4083012

SCHEMBL4083012

CCCCN1CCC(C(=O)O)C1CC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 7/20 0.43
GBA1 P04062 3/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
BCHE P06276 1/20 0.34
OPRD1 P41143 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
OGA O60502 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NR1I2 O75469 1/20 0.32
UGCG Q16739 2/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
AGL P35573 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
SCHEMBL5015303 0.91 GBA1 (0.41) GBA2GBA1BCHE
SCHEMBL26050348 0.84 GBA2 (0.47) GBA2GBA1MEN1KMT2APOLB
SCHEMBL4083015 0.77 LMNA (0.33) GBA2GBA1MEN1KMT2APOLB
SCHEMBL9340416 0.76 GBA2 (0.42) GBA2GBA1MEN1KMT2APOLB
SCHEMBL26050252 0.74 GBA1 (0.45) GBA2GBA1
SCHEMBL9863071 0.71 GBA1 (0.48) GBA2GBA1BCHEKCNH2
SCHEMBL5702265 0.71 GBA2 (0.45) GBA2GBA1MEN1KMT2APOLB
SCHEMBL5701883 0.71 GBA2 (0.45) GBA2GBA1MEN1KMT2APOLB
SCHEMBL4518775 0.70 BCHE (0.37) GBA2BCHEOPRD1KCNH2ALDH1A1
SCHEMBL27419314 0.69 CYP3A4 (0.44) GBA2GBA1POLBBCHECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010488-A1 STEREOSPECIFIC LIPIDS FOR LOCOREGIONAL THERAPY WITH LONG-TERM CIRCULATING STIMULI-SENSITIVE NANOCARRIER SYSTEMS Thermosome Gmbh (DE) 2016-04-27 EP claimed
WO-2014202680-A1 STEREOSPECIFIC LIPIDS FOR LOCOREGIONAL THERAPY WITH LONG-TERM CIRCULATING STIMULI-SENSITIVE NANOCARRIER SYSTEMS THERMOSOME GmbH (DE) 2014-12-24 WO claimed
EP-3010488-A1 STEREOSPECIFIC LIPIDS FOR LOCOREGIONAL THERAPY WITH LONG-TERM CIRCULATING STIMULI-SENSITIVE NANOCARRIER SYSTEMS Thermosome Gmbh (DE) 2016-04-27 EP disclosed
WO-2014202680-A1 STEREOSPECIFIC LIPIDS FOR LOCOREGIONAL THERAPY WITH LONG-TERM CIRCULATING STIMULI-SENSITIVE NANOCARRIER SYSTEMS THERMOSOME GmbH (DE) 2014-12-24 WO disclosed
EP-1906987-A4 METHODS AND COMPOSITIONS FOR EMERGENCY CONTRACEPTION USING ENDOTHELIN RECEPTOR ANTAGONISTS POPULATION COUNCIL INC (US) 2009-01-28 EP disclosed
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
EP-1906987-A1 METHODS AND COMPOSITIONS FOR EMERGENCY CONTRACEPTION USING ENDOTHELIN RECEPTOR ANTAGONISTS The Population Council, Inc. (US) 2008-04-09 EP disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
WO-2007012006-A1 METHODS AND COMPOSITIONS FOR EMERGENCY CONTRACEPTION USING ENDOTHELIN RECEPTOR ANTAGONISTS THE POPULATION COUNCIL, INC. (US) 2007-01-25 WO disclosed
US-20060229280-A1 Endothelin antagonists ABBVIE INC. 2006-10-12 US disclosed
US-6946481-B1 Endothelin antagonists ABBOTT LABORATORIES (US) 2005-09-20 US disclosed
EP-1513852-A1 PHOSPHATIDYL OLIGO GLYCERINS AND STRUCTURAL ANALOGS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2005-03-16 EP disclosed
WO-2003095464-A1 PHOSPHATIDYL OLIGO GLYCERINS AND STRUCTURAL ANALOGS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-11-20 WO disclosed
US-6462194-B1 Endothelin antagonists ABBOTT LABORATORIES 2002-10-08 US disclosed
US-6380241-B1 FOR THERAPY OF CORONARY ANGINA, CEREBRAL VASOSPASM, ACUTE AND CHRONIC RENAL FAILURE, GASTRIC ULCERATION, CYCLOSPORIN-INDUCED NEPHROTOXICITY, ENDOTOXIN-INDUCED TOXICITY, ASTHMA, LPL-RELATED LIPOPROTEIN DISORDERS, PROLIFERATIVE DISEASES ABBOTT LABORATORIES 2002-04-30 US disclosed
WO-2002017912-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 2002-03-07 WO disclosed
US-6162927-A Endothelin antagonists ABBOTT LABORATORIES (US) 2000-12-19 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 (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-20060229280-A1 Endothelin antagonists EDNRA, EDNRB, ECE1 GBA2 4044/4885GBA1 3358/4885MEN1 517/4885

“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.