SCHEMBL4132820

SCHEMBL4132820

O=C(NC[C@@H]1[C@H]2CN(Cc3cccc(F)c3)C[C@@H]12)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
CACNA1G O43497 1/20 0.41
CHRM4 P08173 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 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
SCHEMBL4132816 1.00 FAAH (0.47) FAAHSIGMAR1CHRM2CHRM1CHRM3
SCHEMBL4149372 0.89 CACNA1G (0.46) SIGMAR1CACNA1GCHRM4
SCHEMBL5099416 0.89 CACNA1G (0.46) SIGMAR1CACNA1GCHRM4
SCHEMBL5105573 0.89 CHRM3 (0.46) CHRM2CHRM1CHRM3
SCHEMBL5105568 0.89 CHRM3 (0.46) CHRM2CHRM1CHRM3
SCHEMBL4143237 0.88 CHRM2 (0.50) FAAHCHRM2CHRM1CHRM3UBE2M
SCHEMBL4143233 0.88 CHRM2 (0.50) FAAHCHRM2CHRM1CHRM3UBE2M
SCHEMBL5099648 0.86 CHRM2 (0.51) CHRM2CHRM1CHRM3
SCHEMBL4136009 0.86 CHRM2 (0.51) CHRM2CHRM1CHRM3
SCHEMBL4128643 0.84 CHRM3 (0.45) FAAHCHRM2CHRM1CHRM3DCUN1D1

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
US-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US claimed
US-7446123-B2 Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-04 US claimed
US-20060287380-A1 Azabicyclo Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-12-21 US claimed
US-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US disclosed
US-7446123-B2 Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-04 US disclosed
US-20060287380-A1 Azabicyclo Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-12-21 US 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-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS ADRB2, ADRB1, ADRA2C FAAH 1414/4885SIGMAR1 942/4885CHRM2 9/4885
US-20060287380-A1 Azabicyclo Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 FAAH 1055/4885SIGMAR1 447/4885CHRM2 2/4885

“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.