SCHEMBL4136674

SCHEMBL4136674

CCC(CC)[C@@](O)(C(=O)N(C)C[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.41
ACHE P22303 4/20 0.39
KDM4E B2RXH2 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL4142659 0.91 BCHE (0.40) BCHEACHEKDM4ES1PR1S1PR5
SCHEMBL4142342 0.89 ACHE (0.40) BCHEACHEKDM4ES1PR1S1PR5
SCHEMBL4619318 0.85 CHRM3 (0.44) BCHEACHEKDM4ES1PR1S1PR5
SCHEMBL4140154 0.84 ACHE (0.42) BCHEACHEKDM4ES1PR1S1PR5
SCHEMBL4619946 0.82 ACHE (0.43) BCHEACHEKDM4ES1PR1S1PR5
SCHEMBL4143610 0.80 HRH1 (0.43) BCHEACHES1PR1S1PR5
SCHEMBL4149426 0.80 CHRM3 (0.39) KDM4ES1PR1S1PR5
SCHEMBL5106216 0.80 CHRM3 (0.39) KDM4ES1PR1S1PR5
SCHEMBL4619277 0.80 ACHE (0.43) BCHEACHEKDM4ES1PR1S1PR5
SCHEMBL4620525 0.79 CHRM3 (0.52)

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 BCHE 2224/4885ACHE 392/4885KDM4E 3005/4885
US-20060287380-A1 Azabicyclo Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 BCHE 394/4885ACHE 137/4885KDM4E 2339/4885

“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.