SCHEMBL72324

SCHEMBL72324

[CH2]CCOc1ccc(CCCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
EPHX2 P34913 1/20 0.57
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLCO1B3 Q9NPD5 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
HRH3 Q9Y5N1 5/20 0.46
FFAR1 O14842 3/20 0.46
PPARA Q07869 1/20 0.45
CYP4A11 Q02928 1/20 0.42
CA2 P00918 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL28934486 0.88 LTA4H (0.65) LTA4HEPHX2LMNAMEN1USP2
SCHEMBL8798288 0.87 LTA4H (0.50) LTA4HEPHX2LMNAMEN1USP2
SCHEMBL4870501 0.86 LTA4H (0.62) LTA4HEPHX2LMNAMEN1USP2
SCHEMBL4990243 0.86 LTA4H (0.62) LTA4HEPHX2LMNAMEN1USP2
SCHEMBL5674541 0.85 ALDH1A1 (0.54) LTA4HEPHX2LMNAMEN1USP2
SCHEMBL3162199 0.84 LTA4H (0.59) LTA4HEPHX2LMNAMEN1USP2
SCHEMBL3027395 0.83 ALDH1A1 (0.69) LTA4HEPHX2LMNAMEN1USP2
SCHEMBL11366627 0.82 LTA4H (0.58) LTA4HEPHX2LMNAMEN1USP2
SCHEMBL19000923 0.81 LTA4H (0.57) LTA4HEPHX2LMNAMEN1USP2
SCHEMBL21483679 0.81 LTA4H (0.57) LTA4HEPHX2LMNAMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2020-03-17 US disclosed
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL SA (ES) 2019-06-20 US disclosed
US-10034867-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2018-07-31 US disclosed
US-20170319557-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2017-11-09 US disclosed
US-9687478-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2017-06-27 US disclosed
US-RE46417-E1 Quinuclidine derivatives and their use as muscarinic M3 receptor ligands ALMIRALL, S.A. (ES) 2017-05-30 US disclosed
US-20160296503-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2016-10-13 US disclosed
US-9333195-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2016-05-10 US disclosed
US-20150246026-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2015-09-03 US disclosed
EP-1200431-B3 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTORS LIGANDS ALMIRALL SA (ES) 2015-06-24 EP disclosed
WO-2003087094-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS ALMIRALL PRODESFARMA AG (CH) 2003-10-23 WO disclosed
EP-1353919-A2 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2003-10-22 EP disclosed
EP-1345937-A1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2003-09-24 EP disclosed
WO-2003066063-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 17ALPHA-FURANYLESTERS OF 17BETA-CARBOTHIOATE ANDROSTANES WITH A MUSCARINIC RECEPTOR ANTAGONIST GLAXO GROUP LIMITED (GB) 2003-08-14 WO disclosed
EP-1200431-B1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTORS LIGANDS ALMIRALL PRODESFARMA AG (CH) 2003-03-26 EP disclosed
US-20030055080-A1 For manufacture of medicament for use in therapy of respiratory, urinary or gastrointestinal disease ALMIRALL, S.A. (ES) 2003-03-20 US disclosed
WO-2002053564-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2002-07-11 WO disclosed
WO-2002051841-A1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2002-07-04 WO disclosed
EP-1200431-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR LIGANDS Almirall Prodesfarma, S.A. (ES) 2002-05-02 EP disclosed
WO-2001004118-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR LIGANDS ALMIRALL PRODESFARMA S.A. (ES) 2001-01-18 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 (7 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-10034867-B2 Quinuclidine derivatives and medicinal compositions containing the same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM3, OPRD1 LTA4H 1430/4885EPHX2 4280/4885LMNA 2813/4885
US-20160296503-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO2, CHRM3 LTA4H 1480/4885EPHX2 3808/4885LMNA 2690/4885
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRNB1, ARRB1 LTA4H 212/4885EPHX2 2384/4885LMNA 4706/4885
US-20030055080-A1 For manufacture of medicament for use in therapy of respiratory, urinary or gastrointestinal disease NR1H4, CHRM3, CHRM4 LTA4H 972/4885EPHX2 2272/4885LMNA 3824/4885
US-20170319557-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM3, OPRD1 LTA4H 1469/4885EPHX2 4108/4885LMNA 3420/4885
US-20150246026-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NR4A1, CHRM4, NR4A3 LTA4H 2302/4885EPHX2 3219/4885LMNA 3812/4885
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same CHRM3, QDPR, CHRM2 LTA4H 210/4885EPHX2 2572/4885LMNA 4535/4885

“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.