SCHEMBL3223353

SCHEMBL3223353

Cc1cccc(-c2c(O)nc(C(C)(C)c3cccs3)nc2O)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.65
CNR2 P34972 7/20 0.65
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACLY P53396 1/20 0.34
CCR4 P51679 1/20 0.33
ENPP1 P22413 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
RAB9A P51151 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
SCHEMBL1491152 0.86 CNR2 (0.68) CNR1CNR2MAPTALDH1A1KDM4E
SCHEMBL1433143 0.82 CNR2 (0.64) CNR1CNR2ALDH1A1GAAACLY
SCHEMBL1192839 0.80 CNR1 (0.48) CNR1CNR2MAPTALDH1A1KDM4E
SCHEMBL1205269 0.79 CNR2 (1.00) CNR1CNR2ALDH1A1KDM4EHPGD
SCHEMBL1433451 0.79 CNR2 (0.63) CNR1CNR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL1238358 0.74 CNR1 (0.46) CNR1CNR2MAPTALDH1A1HPGD
SCHEMBL1433542 0.74 CNR1 (0.39) CNR1CNR2MAPTALDH1A1KDM4E
SCHEMBL13456069 0.72 CNR1 (0.42) CNR1CNR2MAPTALDH1A1HPGD
SCHEMBL1433555 0.69 CASP3 (0.41) CNR1CNR2ALDH1A1KDM4EHPGD
SCHEMBL1238396 0.68 CNR1 (0.54) CNR1CNR2MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541431-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-09-24 US claimed
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US claimed
US-8541431-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-09-24 US disclosed
US-8541431-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-09-24 US disclosed
US-8541431-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-09-24 US disclosed
US-8389534-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-03-05 US disclosed
US-8389534-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-03-05 US disclosed
US-8389534-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-03-05 US disclosed
WO-2010045377-A2 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2010-04-22 WO disclosed
WO-2010045377-A2 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2010-04-22 WO disclosed
US-20100069634-A1 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2010-03-18 US disclosed
US-20100069634-A1 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2010-03-18 US disclosed
US-20100069634-A1 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2010-03-18 US disclosed
WO-2009143183-A1 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2009-11-26 WO disclosed
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 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 (2 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-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885MAPT 3243/4885
US-20100069634-A1 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885MAPT 3243/4885

“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.