SCHEMBL4620772

SCHEMBL4620772

O=C(NC1C2CN(Cc3ccccc3)CC21)C(O)(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
SLC6A12 P48065 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
MCHR1 Q99705 1/20 0.49
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
CACNA1G O43497 2/20 0.46

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
SCHEMBL5948027 0.93 CHRM3 (0.49)
SCHEMBL4619381 0.88 CHRM2 (0.49)
SCHEMBL4149372 0.85 CACNA1G (0.46) SIGMAR1SLC6A12TMEM97MCHR1DRD2
SCHEMBL5099416 0.85 CACNA1G (0.46) SIGMAR1SLC6A12TMEM97MCHR1DRD2
SCHEMBL4619398 0.83 CHRM3 (0.46) SIGMAR1DRD2DRD4
SCHEMBL17294697 0.81 CHRM3 (0.55) SIGMAR1DRD2DRD4
SCHEMBL4619261 0.81 CHRM3 (0.46) SIGMAR1
SCHEMBL4073113 0.81 HTR4 (0.47)
SCHEMBL4073432 0.81 HTR4 (0.47)
SCHEMBL6177077 0.81 HTR4 (0.47)

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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US claimed
EP-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 EP claimed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO claimed
US-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US disclosed
EP-1888525-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-02-20 EP disclosed
WO-2006117754-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 SIGMAR1 848/4885SLC6A12 4390/4885TMEM97 981/4885

“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.