SCHEMBL4921985

SCHEMBL4921985

CN1CCC(CN(C)C(=O)C(O)(c2ccccc2)C2CCCC2)C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 1/20 0.56
CHRM3 P20309 11/20 0.54
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
CHRM2 P08172 7/20 0.52
CHRM1 P11229 7/20 0.52
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.47
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC29A1 Q99808 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL4923231 0.86 CHRM3 (0.56) CYP3A4CYP2D6CHRM3KEAP1NFE2L2
SCHEMBL4921992 0.85 CHRM2 (0.55) CHRM3KEAP1NFE2L2CHRM2CHRM1
SCHEMBL4924657 0.81 CHRM3 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL4915142 0.80 KEAP1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL25134509 0.79 KEAP1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL4914500 0.79 KEAP1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL18196842 0.77 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL20924623 0.76 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3
SCHEMBL4143564 0.76 CHRM3 (0.52) ALDH1A1CHRM3KEAP1NFE2L2CHRM2
SCHEMBL4620525 0.76 CHRM3 (0.52) ALDH1A1CHRM3KEAP1NFE2L2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262075-A1 Pyrrolidine Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-10-23 US claimed
US-20080262075-A1 Pyrrolidine Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-10-23 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-20080262075-A1 Pyrrolidine Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 ALDH1A1 2257/4885CYP1A2 649/4885CYP3A4 723/4885

“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.