SCHEMBL2771748

SCHEMBL2771748

CN1CCN(C2(c3nc(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)cs3)CCOCC2)CC1

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.88
CNR1 P21554 8/20 0.85
MTOR P42345 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS1 P23219 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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 SCHEMBL6525415 0.99 CNR2 (0.86) CNR2CNR1MTORALDH1A1KDM4E
SCHEMBL2772047 0.94 CNR2 (1.00) CNR2CNR1MTORALDH1A1MAPT
SCHEMBL12848799 0.92 CNR2 (0.75) CNR2CNR1MTORALDH1A1KDM4E
SCHEMBL2773981 0.92 CNR2 (1.00) CNR2CNR1MTORALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6524531 0.91 CNR2 (0.98) CNR2CNR1MTORALDH1A1KDM4E
SCHEMBL12848745 0.84 CNR2 (0.82) CNR2CNR1MTORALDH1A1MAPT
SCHEMBL2774400 0.81 CNR2 (1.00) CNR2CNR1PTGS2PTGS1GAA
SCHEMBL2773050 0.80 CNR2 (1.00) CNR2CNR1PTGS2PTGS1GAA
SCHEMBL2772584 0.80 CNR2 (1.00) CNR2CNR1PTGS2PTGS1CA1
Hydrochloric Acid SCHEMBL6521926 0.80 CNR2 (0.98) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2201007-A1 CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2010-06-30 EP claimed
WO-2009071753-A1 CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2009-06-11 WO claimed
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 1/4885MTOR 1437/4885

“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.