SCHEMBL4245976

SCHEMBL4245976

O=C(NCC1C2CCC1CN(Cc1ccccc1)C2)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.58
DRD4 P21917 8/20 0.58
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
CHRM4 P08173 6/20 0.54
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
BCHE P06276 1/20 0.48

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
SCHEMBL4246929 0.87 MCHR2 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4240858 0.85 HDAC1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4248205 0.85 BACE1 (0.55) DRD2DRD4BCHE
SCHEMBL4237299 0.84 CHRNB2 (0.54) CHRM4
SCHEMBL4189224 0.83 GRIN2B (0.48) DRD2DRD4
SCHEMBL4242006 0.80 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4240402 0.79 DRD2 (0.51) DRD2DRD4CHRM4BCHE
SCHEMBL4242462 0.79 DRD2 (0.43) DRD2DRD4HDAC3HDAC4HDAC1
SCHEMBL8363043 0.79 BCHE (0.75) DRD2DRD4HDAC3HDAC4HDAC1
SCHEMBL4241259 0.77 CHRM4 (0.54) DRD2DRD4CHRM4

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 DRD2 563/4885DRD4 1807/4885HDAC3 1456/4885

“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.