SCHEMBL2774868

SCHEMBL2774868

CC(C)(C)c1cc(-c2coc(C3(NC(=O)O)CCOCC3)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.65
CNR1 P21554 7/20 0.65
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS1 P23219 2/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL6520138 0.80 CNR2 (0.77) CNR2CNR1PTGS1PTGS2
SCHEMBL2773002 0.80 CNR2 (0.73) CNR2CNR1CA1CA2PTGS1
SCHEMBL2772874 0.79 CNR2 (1.00) CNR2CNR1CA1CA2
Hydrochloric Acid SCHEMBL6524573 0.78 CNR2 (0.98) CNR2CNR1CA1CA2
SCHEMBL4938480 0.70 CNR2 (0.62) CNR2CNR1CA1CA2PTGS1
SCHEMBL6526786 0.69 CNR2 (0.61) CNR2CNR1PTGS1PTGS2
SCHEMBL2774400 0.68 CNR2 (1.00) CNR2CNR1CA1CA2PTGS1
Hydrochloric Acid SCHEMBL6521926 0.67 CNR2 (0.98) CNR2CNR1CA1CA2PTGS1
SCHEMBL2774825 0.66 CNR2 (0.78) CNR2CNR1CA1CA2PTGS1
SCHEMBL9456821 0.65 CNR2 (0.49) CNR2CNR1CA1CA2MEN1

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-20110059970-A1 4-PHENYL-1,3-THIAZOLES AND 4-PHENYL-1,3-OXAZOLES DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2011-03-10 US disclosed
EP-2201007-A1 CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2010-06-30 EP disclosed
WO-2009071753-A1 CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2009-06-11 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-20110059970-A1 4-PHENYL-1,3-THIAZOLES AND 4-PHENYL-1,3-OXAZOLES DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R CNR2 2/4885CNR1 1/4885CA1 3280/4885

“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.