SCHEMBL4240402

SCHEMBL4240402

O=C(NCC1C2CCC1CN(Cc1ccccc1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
CHRM4 P08173 2/20 0.50
MTTP P55157 8/20 0.49
APOB P04114 1/20 0.47
ADAMTS7 Q9UKP4 1/20 0.47
GAA P10253 1/20 0.47
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
KLRK1 P26718 1/20 0.43
MICA Q29983 1/20 0.43
RAET1L Q5VY80 1/20 0.43

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
SCHEMBL4237299 0.90 CHRNB2 (0.54) CHRM4GAACHRNB2CHRNA4
SCHEMBL4245976 0.79 DRD2 (0.58) DRD2DRD4CHRM4BCHE
SCHEMBL3731091 0.78 DRD4 (0.68) DRD2DRD4CHRM4MTTPSIGMAR1
SCHEMBL4242462 0.77 DRD2 (0.43) DRD2DRD4
SCHEMBL2589154 0.76 HIF1A (0.59) DRD2DRD4CHRM4MTTPAPOB
SCHEMBL4189224 0.75 GRIN2B (0.48) DRD2DRD4SIGMAR1
SCHEMBL4246862 0.75 ALDH1A1 (0.50) DRD2DRD4GAA
SCHEMBL4188612 0.73 CHRM3 (0.43)
SCHEMBL4190801 0.73 CHRM3 (0.43)
SCHEMBL2588205 0.73 HIF1A (0.64) MTTPAPOBGAAHIF1AEPAS1

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 4 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
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 1807/4885CHRM4 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.