SCHEMBL980506

SCHEMBL980506

O=[C]CCc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
FFAR1 O14842 1/20 0.44
MAOB P27338 1/20 0.43
IDO1 P14902 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
AOC3 Q16853 1/20 0.42
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
DAO P14920 1/20 0.39
MIF P14174 1/20 0.39
AGXT P21549 1/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38

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
SCHEMBL9206133 0.87 GFER (0.36) TAAR1FFAR1MAOB
SCHEMBL3247875 0.86 TAAR1 (0.46) TAAR1FFAR1MAOBIDO1LOXL2
SCHEMBL5538115 0.85 TAAR1 (0.45) TAAR1FFAR1MAOBAOC3
SCHEMBL5539540 0.83 TAAR1 (0.43) TAAR1FFAR1MAOB
SCHEMBL440374 0.76 TAAR1 (0.50) TAAR1MAOBIDO1AOC3DAO
SCHEMBL8439000 0.76 HRH3 (0.46) TAAR1LOXL2
SCHEMBL692408 0.76 GFER (0.59) MAOBLOXL2
SCHEMBL910881 0.76 CA2 (0.47)
SCHEMBL4847285 0.76 DAO (0.40) TAAR1IDO1DAO
SCHEMBL98012 0.76 TAAR1 (0.50) TAAR1FFAR1IDO1

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US claimed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 US claimed
US-7732412-B2 Methods of treatment using novel LHRH antagonists having improved solubility properties ZENTARIS GMBH (DE) 2010-06-08 US claimed
EP-1830818-B1 PROCESS FOR THE MANUFACTURE OF STERILE SUSPENSIONS OR LYOPHILISATES OF LOW-SOLUBLE BASIC PEPTIDE COMPLEXES, PHARMACEUTICAL FORMULATIONS COMPRISING THESE COMPLEXES AND THEIR USE AS MEDICAMENT AETERNA ZENTARIS GMBH (DE) 2010-04-07 EP claimed
US-20060281685-A1 METHODS OF TREATMENT USING NOVEL LHRH ANTAGONISTS HAVING IMPROVED SOLUBILITY PROPERTIES ZENTARIS GMBH (DE) 2006-12-14 US claimed
US-7148195-B2 LHRH antagonists having improved solubility properties ZENTARIS GMBH (DE) 2006-12-12 US claimed
US-20060135405-A1 Process for producing sterile suspensions of slightly soluble basic peptide complexes, sterile suspensions of slightly soluble basic peptide complexes, pharmaceutical formulations containing them, and the use thereof as medicaments ZENTARIS GMBH (DE) 2006-06-22 US claimed
US-20050159335-A1 Pharmaceutical administration form for peptides, process for its preparation, and use AETERNA ZENTARIS GMBH (DE) 2005-07-21 US claimed
CN-1185251-C Novel LHRH-antagonists with improved solubility characteristics ZANTARIS AG (DE) 2005-01-19 CN claimed
US-20040266695-A1 Novel LHRH antagonists having improved solubility properties BERND MICHAEL 2004-12-30 US claimed
WO-1995024424-A1 CYCLIC PEPTIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1995-09-14 WO claimed
WO-1994025046-A1 METHOD OF COMBATING ACYCLOVIR-RESISTANT HERPES SIMPLEX VIRAL INFECTIONS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-11-10 WO claimed
WO-1993018056-A1 ISOSTERIC ANTIHERPES PEPTIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 WO claimed
EP-0560267-A1 Isosteric antiherpes peptide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 EP claimed
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US claimed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP claimed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP claimed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20060135405-A1 Process for producing sterile suspensions of slightly soluble basic peptide complexes, sterile suspensions of slightly soluble basic peptide complexes, pharmaceutical formulations containing them, and the use thereof as medicaments VIP, NASP, SPCS2 TAAR1 4469/4885FFAR1 1690/4885MAOB 4666/4885
US-20060281685-A1 METHODS OF TREATMENT USING NOVEL LHRH ANTAGONISTS HAVING IMPROVED SOLUBILITY PROPERTIES GNRHR, PRLHR, FSHR TAAR1 3388/4885FFAR1 476/4885MAOB 2247/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 TAAR1 4623/4885FFAR1 1287/4885MAOB 1282/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 TAAR1 4623/4885FFAR1 1287/4885MAOB 1282/4885
US-20040266695-A1 Novel LHRH antagonists having improved solubility properties LHCGR, GNRHR, PRLHR TAAR1 2099/4885FFAR1 415/4885MAOB 4352/4885
US-20050159335-A1 Pharmaceutical administration form for peptides, process for its preparation, and use LHCGR, GNRHR, GHRHR TAAR1 4149/4885FFAR1 241/4885MAOB 1848/4885

“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.