SCHEMBL5116054

SCHEMBL5116054

O=C(Cc1cccc(C2CCCC2)c1O)OC1CCN(Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.47
MAOB P27338 2/20 0.47
SIGMAR1 Q99720 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
OPRK1 P41145 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL5115684 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1
SCHEMBL4190993 0.84 GRIN2B (0.39) BCHEMAOBSIGMAR1ALDH1A1MEN1
SCHEMBL4193805 0.83 GRIN2B (0.38) BCHEMAOBSIGMAR1ALDH1A1MEN1
SCHEMBL4161374 0.82 CHRM4 (0.44) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1697177 0.82 CHRM4 (0.44) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5385059 0.81 CHRM4 (0.43) ALDH1A1L3MBTL1
SCHEMBL4179654 0.78 BCHE (0.38) BCHEMAOBSIGMAR1MEN1KMT2A
SCHEMBL3217075 0.78 BCHE (0.37) BCHEMAOBSIGMAR1ACHES1PR5
SCHEMBL3205175 0.78 BCHE (0.37) BCHEMAOBSIGMAR1ACHES1PR5
SCHEMBL4180019 0.78 POLB (0.33) SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194862-A1 1-Substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-08-31 US claimed
US-7465751-B2 1-substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-16 US disclosed
US-20060194862-A1 1-Substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-08-31 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 (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-20060194862-A1 1-Substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists CHRM3, CHRM1, CHRM5 BCHE 763/4885MAOB 611/4885SIGMAR1 660/4885

“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.