SCHEMBL5115684

SCHEMBL5115684

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
POLB P06746 1/20 0.50
TACR3 P29371 1/20 0.45
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.39
NAMPT P43490 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
MAPK1 P28482 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
SCHEMBL5116054 0.85 BCHE (0.47) ALDH1A1KDM4EL3MBTL1
SCHEMBL4161374 0.81 CHRM4 (0.44) ALDH1A1L3MBTL1
SCHEMBL1697177 0.81 CHRM4 (0.44) ALDH1A1L3MBTL1
SCHEMBL5385059 0.81 CHRM4 (0.43) ALDH1A1L3MBTL1
SCHEMBL20476348 0.77 KDM4E (0.41) ALDH1A1KDM4E
SCHEMBL5115681 0.76 TACR3 (0.52) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL4190993 0.75 GRIN2B (0.39) ALDH1A1
SCHEMBL1999955 0.75 SLC6A2 (0.40) ALDH1A1KDM4E
SCHEMBL4193805 0.74 GRIN2B (0.38) ALDH1A1KDM4E
SCHEMBL4180019 0.73 POLB (0.33) POLB

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-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
EP-1583741-A1 1-SUBSTITUTED-3-PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories, Limited (IN) 2005-10-12 EP disclosed
WO-2004056767-A1 1-SUBSTITUTED-3-PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-07-08 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-20060194862-A1 1-Substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists CHRM3, CHRM1, CHRM5 ALDH1A1 821/4885POLB 2285/4885TACR3 37/4885

“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.