SCHEMBL3312757

SCHEMBL3312757

CC(C(=O)O)(c1ccccc1)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
KCNA5 P22460 2/20 0.44
CHRM3 P20309 3/20 0.44
CYP3A4 P08684 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL2128020 0.84 SMN1; SMN2 (0.52) SMN1; SMN2LMNAOPRM1OPRD1CHRM3
SCHEMBL8817476 0.84 SMN1; SMN2 (0.52) SMN1; SMN2LMNAOPRM1OPRD1KCNA5
SCHEMBL7592805 0.84 CHRM3 (0.57) SMN1; SMN2CHRM3GAA
SCHEMBL2127676 0.83 CYP2B6 (0.59) CHRM3
SCHEMBL2126740 0.83 CYP2B6 (0.59) CHRM3
SCHEMBL3043721 0.83 CYP2B6 (0.59) CHRM3
SCHEMBL4444477 0.83 CYP2B6 (0.59) CHRM3
SCHEMBL26698239 0.81 CHRM3 (0.55) OPRM1CHRM3ALDH1A1TSHRKMT2A
SCHEMBL18284663 0.80 SIGMAR1 (0.45) SMN1; SMN2OPRD1CHRM3CYP3A4ALDH1A1
SCHEMBL27772009 0.80 CHRM3 (0.57) SMN1; SMN2CHRM3HIF1AALDH1A1MAPT

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-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-05-06 US disclosed
CN-101610813-A Quinuclidinol derivatives as muscarinic receptor antagonist ASTRAZENECA AB (SE) 2009-12-23 CN 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-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 SMN1; SMN2 4582/4885LMNA 2742/4885OPRM1 69/4885

“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.