SCHEMBL5015303

SCHEMBL5015303

CCCN1CCC(C(=O)O)C1CC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.41
HTR1A P08908 3/20 0.34
GBA2 Q9HCG7 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KCNK3 O14649 1/20 0.32
LMNA P02545 1/20 0.32
BCHE P06276 1/20 0.30

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
SCHEMBL4083012 0.91 GBA2 (0.43) GBA1GBA2BCHE
SCHEMBL26050252 0.83 GBA1 (0.45) GBA1HTR1AGBA2SMN1; SMN2KCNK3
SCHEMBL26050348 0.74 GBA2 (0.47) GBA1GBA2
SCHEMBL4083015 0.73 LMNA (0.33) GBA1GBA2LMNABCHE
SCHEMBL12191654 0.69 ACE (0.44) GBA1SMN1; SMN2KCNK3LMNA
SCHEMBL5701854 0.69 ACE (0.44) GBA1SMN1; SMN2KCNK3LMNA
SCHEMBL5702197 0.69 ACE (0.44) GBA1SMN1; SMN2KCNK3LMNA
SCHEMBL23374790 0.67 SMN1; SMN2 (0.46) GBA1HTR1ASMN1; SMN2KCNK3LMNA
SCHEMBL12191642 0.66 GBA1 (0.51) GBA1HTR1AGBA2SMN1; SMN2KCNK3
SCHEMBL8894199 0.66 GBA1 (0.51) GBA1HTR1AGBA2SMN1; SMN2KCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US 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
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
EP-0776324-A1 ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1997-06-04 EP 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 GBA1 3358/4885HTR1A 464/4885GBA2 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.