SCHEMBL5544810

SCHEMBL5544810

O[C@@H]1CCN(CCCOc2ccccc2)C1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.69
HRH3 Q9Y5N1 12/20 0.66
HRH2 P25021 4/20 0.66
HRH1 P35367 4/20 0.66
TMEM97 Q5BJF2 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ACHE P22303 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2B Q13224 1/20 0.54

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
SCHEMBL5544791 0.92 LTA4H (0.80) LTA4HHRH3HRH2HRH1TMEM97
SCHEMBL6278104 0.92 LTA4H (0.80) LTA4HHRH3HRH2HRH1TMEM97
SCHEMBL6398998 0.92 LTA4H (0.80) LTA4HHRH3HRH2HRH1TMEM97
SCHEMBL30272050 0.84 KDM4E (0.60) LTA4HHRH3HRH2HRH1KDM4E
SCHEMBL30395141 0.84 KDM4E (0.60) LTA4HHRH3HRH2HRH1KDM4E
SCHEMBL27512013 0.84 HRH3 (0.58) LTA4HHRH3HRH2HRH1TMEM97
SCHEMBL19897903 0.84 KDM4E (0.60) LTA4HHRH3HRH2HRH1KDM4E
SCHEMBL19897905 0.84 KDM4E (0.60) LTA4HHRH3HRH2HRH1KDM4E
SCHEMBL21621022 0.84 KDM4E (0.64) LTA4HHRH3HRH2HRH1KDM4E
SCHEMBL19389940 0.84 LTA4H (0.67) LTA4HHRH3HRH2HRH1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129420-A1 New pyrrolidinium derivatives ALMIRALL PRODESFARMA SA 2007-06-07 US claimed
US-7192978-B2 Pyrrolidinium derivatives ALMIRALL PRODESFARMA AG (CH) 2007-03-20 US claimed
US-20050282875-A1 Pyrrolidinium derivatives LABORATORIOS ALMIRALL S.A. (ES) 2005-12-22 US claimed
EP-1497284-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS Almirall Prodesfarma AG (CH) 2005-01-19 EP claimed
WO-2003087094-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS ALMIRALL PRODESFARMA AG (CH) 2003-10-23 WO claimed
US-20070129420-A1 New pyrrolidinium derivatives ALMIRALL PRODESFARMA SA 2007-06-07 US disclosed
US-7192978-B2 Pyrrolidinium derivatives ALMIRALL PRODESFARMA AG (CH) 2007-03-20 US disclosed
US-20050282875-A1 Pyrrolidinium derivatives LABORATORIOS ALMIRALL S.A. (ES) 2005-12-22 US disclosed
EP-1497284-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS Almirall Prodesfarma AG (CH) 2005-01-19 EP disclosed
WO-2003087094-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS ALMIRALL PRODESFARMA AG (CH) 2003-10-23 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 (2 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-20050282875-A1 Pyrrolidinium derivatives CHRM3, CHRM2, CHRM1 LTA4H 1194/4885HRH3 189/4885HRH2 114/4885
US-20070129420-A1 New pyrrolidinium derivatives CHRM3, CHRM2, CHRM1 LTA4H 1227/4885HRH3 204/4885HRH2 136/4885

“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.