SCHEMBL2774400

SCHEMBL2774400

CNC1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 1.00
CNR1 P21554 8/20 1.00
PTGS2 P35354 4/20 0.37
PTGS1 P23219 3/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
Hydrochloric Acid SCHEMBL6521926 0.99 CNR2 (0.98) CNR2CNR1PTGS2PTGS1MGAM
SCHEMBL2774825 0.88 CNR2 (0.78) CNR2CNR1PTGS2PTGS1MGAM
SCHEMBL6520138 0.87 CNR2 (0.77) CNR2CNR1PTGS2PTGS1MGAM
SCHEMBL2772584 0.84 CNR2 (1.00) CNR2CNR1PTGS2PTGS1CA1
SCHEMBL2773050 0.84 CNR2 (1.00) CNR2CNR1PTGS2PTGS1MGAM
Hydrochloric Acid SCHEMBL6525519 0.83 CNR2 (0.98) CNR2CNR1PTGS2PTGS1CA1
SCHEMBL2772047 0.82 CNR2 (1.00) CNR2CNR1PTGS2PTGS1GAA
SCHEMBL2773981 0.81 CNR2 (1.00) CNR2CNR1PTGS2PTGS1GAA
SCHEMBL2771748 0.81 CNR2 (0.88) CNR2CNR1PTGS2PTGS1GAA
Hydrochloric Acid SCHEMBL6525415 0.80 CNR2 (0.86) CNR2CNR1PTGS2PTGS1GAA

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-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
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 1/4885PTGS2 1654/4885

“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.