SCHEMBL4246929

SCHEMBL4246929

O=C(NCC1C2CCC1CN(Cc1ccccc1)C2)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 2/20 0.55
MCHR1 Q99705 2/20 0.55
CHRM4 P08173 5/20 0.54
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
HPGD P15428 1/20 0.51
LTA4H P09960 2/20 0.49
BCHE P06276 1/20 0.48
SLC2A1 P11166 1/20 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
SCHEMBL4245976 0.87 DRD2 (0.58) CHRM4HDAC3HDAC4HDAC1HDAC7
SCHEMBL4246862 0.85 ALDH1A1 (0.50) HPGD
SCHEMBL4240858 0.83 HDAC1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4189224 0.81 GRIN2B (0.48)
SCHEMBL4250549 0.78 FAAH (0.50) BCHE
SCHEMBL4242462 0.76 DRD2 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4249819 0.76 S1PR5 (0.44) CHRM4LTA4H
SCHEMBL4237299 0.76 CHRNB2 (0.54) CHRM4
SCHEMBL8738231 0.75 DRD2 (0.77) MCHR1SLC2A1
SCHEMBL8738579 0.75 DRD2 (0.77) MCHR1SLC2A1

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-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US claimed
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP claimed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US disclosed
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 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-20090012116-A1 Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 MCHR2 85/4885MCHR1 71/4885CHRM4 4/4885

“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.