SCHEMBL2763355

SCHEMBL2763355

O=C(O)C(c1ccccc1)C1CCCCC1O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HTR1E P28566 2/20 0.47
S1PR3 Q99500 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC6A3 Q01959 6/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
CHRM3 P20309 2/20 0.44
KDM4E B2RXH2 1/20 0.44
DHFR P00374 1/20 0.42

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
SCHEMBL4634148 0.96 LMNA (0.44) LMNAHTR1ES1PR3MEN1MAPT
SCHEMBL28756913 0.86 SLC6A3 (0.57) LMNAHTR1ES1PR3MEN1MAPT
SCHEMBL4682197 0.83 CYP2D6 (0.45) LMNAHTR1ES1PR3MEN1MAPT
SCHEMBL3959104 0.83 OPRM1 (0.42) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL28622389 0.79 HTR1E (0.65) LMNAHTR1ES1PR3MEN1MAPT
SCHEMBL69127 0.79 HTR1E (0.65) LMNAHTR1ES1PR3MEN1MAPT
SCHEMBL12531975 0.78 HTR1E (0.63) LMNAHTR1ES1PR3MEN1MAPT
SCHEMBL67219 0.78 HTR1E (0.63) LMNAHTR1ES1PR3MEN1MAPT
Hydrochloric Acid SCHEMBL11526873 0.76 HTR1E (0.61) LMNAHTR1ES1PR3MEN1MAPT
SCHEMBL7799095 0.76 CYP3A4 (0.47) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9084827-B2 Biodegradable polyurethane/urea compositions POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2015-07-21 US claimed
US-20140099277-A1 BIODEGRADABLE POLYURETHANE/UREA COMPOSITIONS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2014-04-10 US claimed
US-20130150964-A1 BIODEGRADABLE POLYURETHANE/UREA COMPOSITIONS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2013-06-13 US claimed
EP-2177511-A2 Process for preparing 3,6-disubstituted azabicyclo derivatives Ranbaxy Laboratories Limited (IN) 2010-04-21 EP disclosed
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US disclosed
EP-2059505-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-05-20 EP disclosed
EP-1546099-B1 3,6-DISUBSTITUTED AZABICYCLO 3.1.0 HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2008-12-31 EP disclosed
US-7399779-B2 3,6-disubstituted azabicyclo [3.1.0] hexane derivatives useful as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-07-15 US disclosed
EP-1572648-B1 3,6-DISUBSTITUTED AZABICYCLO (3.1.0)-HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2008-07-09 EP disclosed
EP-1546098-B1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2008-05-28 EP disclosed
WO-2008029349-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-03-13 WO disclosed
EP-1546098-A4 3,6-DISUBSTITUTED AZABICYCLO ¬3.1.0|HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2006-08-23 EP disclosed
EP-1546099-A4 3,6-DISUBSTITUTED AZABICYCLO 3.1.0 HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2006-08-02 EP disclosed
US-20060122253-A1 3,6-disubstituted azabicyclo [3.1.0]hexane derivatives useful as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-06-08 US disclosed
EP-1572648-A1 3,6-DISUBSTITUTED AZABICYCLO (3.1.0)-HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-09-14 EP disclosed
EP-1546099-A2 3,6-DISUBSTITUTED AZABICYCLO 3.1.0 HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2005-06-29 EP disclosed
EP-1546098-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2005-06-29 EP disclosed
WO-2004052857-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-06-24 WO disclosed
WO-2004014853-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-02-19 WO disclosed
WO-2004004629-A2 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-01-15 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 (3 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-20140099277-A1 BIODEGRADABLE POLYURETHANE/UREA COMPOSITIONS PUF60, UMPS, COL2A1 LMNA 82/4885HTR1E 3746/4885S1PR3 2160/4885
US-20060122253-A1 3,6-disubstituted azabicyclo [3.1.0]hexane derivatives useful as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 LMNA 4106/4885HTR1E 127/4885S1PR3 162/4885
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 LMNA 3063/4885HTR1E 213/4885S1PR3 321/4885

“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.