SCHEMBL4995064

SCHEMBL4995064

CCCCN(CCCC)c1nccc(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CRHR1 P34998 6/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 3/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ELANE P08246 1/20 0.34
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NCOA1 Q15788 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
KCNH2 Q12809 1/20 0.33
DNM2 P50570 2/20 0.33

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
SCHEMBL9649828 0.83 TAAR1 (0.36) UTS2RTAAR1MAPTKCNH2DNM2
SCHEMBL11318303 0.81 TDP1 (0.49) TAAR1MAPTLMNANPSR1TDP1
SCHEMBL14229179 0.79 UTS2R (0.39) UTS2RCRHR1MAPTLMNAMAPK1
SCHEMBL16548435 0.77 LMNA (0.40) UTS2RCRHR1MAPTLMNAMAPK1
SCHEMBL14229041 0.77 UTS2R (0.38) UTS2RCRHR1MAPTLMNAMAPK1
SCHEMBL22576537 0.76 TAAR1 (0.38) TAAR1KCNH2
SCHEMBL20197196 0.76 UTS2R (0.38) UTS2RCRHR1MAPTLMNAMAPK1
SCHEMBL14200180 0.76 UTS2R (0.38) UTS2RCRHR1MAPTLMNAMAPK1
SCHEMBL27528977 0.75 SMN1; SMN2 (0.40) UTS2RCRHR1MAPTLMNANPSR1
SCHEMBL893473 0.75 SMN1; SMN2 (0.45) UTS2RCRHR1MAPTLMNANPSR1

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 20 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
EP-0885215-B1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2006-04-19 EP disclosed
EP-1609790-A2 Benzo-1,3-dioxolyl- and benzofuranyl substituted pyrrolidine derivatives as endothelin antagonists Abbott Laboratories (US) 2005-12-28 EP disclosed
US-6946481-B1 Endothelin antagonists ABBOTT LABORATORIES (US) 2005-09-20 US disclosed
CN-1384100-A Benzo-1,3-dioxole and benzofuran substituted pentazane derivative ABBOTT CO (US) 2002-12-11 CN disclosed
US-6462194-B1 Endothelin antagonists ABBOTT LABORATORIES 2002-10-08 US disclosed
CN-1091768-C Novel benzo-1, 3-dioxolyl-and benzofuranyl-substituted pyrrolidine derivatives as endothelin antagonists ABBOTT LAB CO (US) 2002-10-02 CN disclosed
EP-0776324-B1 ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2002-06-12 EP 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
EP-1186603-A2 Processes for preparing endothelin antagonists Abbott Laboratories (US) 2002-03-13 EP disclosed
US-6162927-A Endothelin antagonists ABBOTT LABORATORIES (US) 2000-12-19 US disclosed
CN-1219172-A Novel benzo-1, 3-dioxolyl-and benzofuranyl-substituted pyrrolidine derivatives as endothelin antagonists ABBOTT LAB CO (US) 1999-06-09 CN disclosed
EP-0885215-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1998-12-23 EP disclosed
US-5767144-A Endothelin antagonists ABBOTT LABORATORIES (US) 1998-06-16 US disclosed
US-5731434-A CARDIOVASCULAR DISORDERS ABBOTT LABORATORIES (US) 1998-03-24 US disclosed
WO-1997030045-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 WO disclosed
US-5622971-A PIPERIDINE DERIVATIVES; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1997-04-22 US disclosed
WO-1996006095-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1996-02-29 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-20060229280-A1 Endothelin antagonists EDNRA, EDNRB, ECE1 UTS2R 339/4885TAAR1 357/4885CRHR1 197/4885

“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.