SCHEMBL4095000

SCHEMBL4095000

CCN(CC(=O)NCC(C)O)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1.CCN(CC(=O)NCCOC)C(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)CC)CCC(C2CCOCC2)C1.CCN(CC(C)O)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.66
CNR2 P34972 4/20 0.51
CYP2C9 P11712 1/20 0.48

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
SCHEMBL2020185 0.90 CNR1 (0.69) CNR1CNR2CYP2C9
SCHEMBL2021722 0.89 CNR1 (0.83) CNR1CNR2CYP2C9
SCHEMBL2018891 0.89 CNR1 (0.67) CNR1CNR2CYP2C9
SCHEMBL2041142 0.88 CNR1 (0.57) CNR1CNR2CYP2C9
SCHEMBL2020792 0.87 CNR1 (0.80) CNR1CNR2CYP2C9
SCHEMBL2017174 0.87 CNR1 (0.80) CNR1CNR2CYP2C9
SCHEMBL2017179 0.87 CNR1 (0.80) CNR1CNR2CYP2C9
SCHEMBL2023041 0.83 CNR1 (0.72) CNR1CNR2CYP2C9
SCHEMBL2015916 0.83 CNR1 (0.72) CNR1CNR2CYP2C9
SCHEMBL2015919 0.83 CNR1 (0.72) CNR1CNR2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 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-20090062251-A1 Novel Compounds 002 OPRL1, OPRK1, OPRM1 CNR1 17/4885CNR2 31/4885CYP2C9 154/4885

“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.