SCHEMBL4634148

SCHEMBL4634148

O=C(O)C(c1ccccc1)C1CCCC1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HTR1E P28566 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR3 Q99500 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
RECQL P46063 1/20 0.41
CA1 P00915 1/20 0.41
GAA P10253 1/20 0.41
PTGS1 P23219 7/20 0.41
PTGS2 P35354 6/20 0.41
CHRM3 P20309 1/20 0.41
MT-CO1 P00395 1/20 0.41
MT-CO2 P00403 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL2763355 0.96 LMNA (0.47) LMNAMEN1MAPTHTR1EKMT2A
SCHEMBL4682197 0.83 CYP2D6 (0.45) LMNAMEN1MAPTHTR1EKMT2A
SCHEMBL28756913 0.83 SLC6A3 (0.57) LMNAMEN1MAPTHTR1EKMT2A
SCHEMBL3959104 0.80 OPRM1 (0.42) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL67619 0.79 HTR1E (0.60) LMNAMEN1MAPTHTR1EKMT2A
SCHEMBL28622389 0.76 HTR1E (0.65) LMNAMEN1MAPTHTR1EKMT2A
SCHEMBL69127 0.76 HTR1E (0.65) LMNAMEN1MAPTHTR1EKMT2A
SCHEMBL66920 0.75 LMNA (0.54) LMNAMEN1MAPTHTR1EKMT2A
SCHEMBL12531975 0.74 HTR1E (0.63) LMNAMEN1MAPTHTR1EKMT2A
SCHEMBL67219 0.74 HTR1E (0.63) LMNAMEN1MAPTHTR1EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-7265147-B2 3,6-disubstituted azabicyclo [3.1.0]hexane derivatives useful as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-04 US disclosed
US-20070004791-A1 3,6-disubstituted azabicyclo {3.1.0} hexane derivatives useful as muscarnic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-01-04 US 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-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-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 (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-20070004791-A1 3,6-disubstituted azabicyclo {3.1.0} hexane derivatives useful as muscarnic receptor antagonists CHRM3, CHRM5, CHRM2 LMNA 3111/4885MEN1 1298/4885MAPT 4411/4885
US-20060122253-A1 3,6-disubstituted azabicyclo [3.1.0]hexane derivatives useful as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 LMNA 4106/4885MEN1 1702/4885MAPT 4409/4885

“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.