SCHEMBL4682197

SCHEMBL4682197

O=C(O)C(c1ccccc1)C1CC1O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
SRC P12931 2/20 0.45
LMNA P02545 4/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTR1E P28566 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR3 Q99500 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GBA1 P04062 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL4634148 0.83 LMNA (0.44) CYP2D6SRCLMNAGAAMEN1
SCHEMBL2763355 0.83 LMNA (0.47) LMNAMEN1MAPTHTR1EKMT2A
SCHEMBL16347968 0.82 CYP2D6 (0.43) CYP2D6SRCLMNAMAPK1GAA
SCHEMBL16347967 0.82 CYP2D6 (0.43) CYP2D6SRCLMNAMAPK1GAA
SCHEMBL942928 0.75 KDM4E (0.40) CYP2D6SRCLMNAMAPK1GAA
SCHEMBL66920 0.75 LMNA (0.54) CYP2D6SRCLMNAMAPK1MEN1
Hydrochloric Acid SCHEMBL11359974 0.73 LMNA (0.53) CYP2D6SRCLMNAMAPK1GAA
SCHEMBL7799097 0.73 CYP3A4 (0.47) CYP2D6CYP3A4CYP1A2TSHRSLC6A3
SCHEMBL7799095 0.73 CYP3A4 (0.47) CYP2D6CYP3A4CYP1A2TSHRSLC6A3
SCHEMBL16143791 0.72 CA1 (0.50) LMNAMEN1KMT2A

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 6 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
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-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
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
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 (1 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 CYP2D6 211/4885SRC 3517/4885LMNA 3111/4885

“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.