SCHEMBL1013558

SCHEMBL1013558

CC(C)(C)c1ccc(C2CC(=O)NN=C2c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.38
TNKS2 Q9H2K2 3/20 0.38
TNKS O95271 2/20 0.38
PARP3 Q9Y6F1 1/20 0.38
AXL P30530 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PDE3B Q13370 5/20 0.36
PDE3A Q14432 5/20 0.36
PBRM1 Q86U86 1/20 0.36
CYP19A1 P11511 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
SCHEMBL1041630 0.87 GPBAR1 (0.43) GPR119AXLSMN1; SMN2PDE3BPDE3A
SCHEMBL8871280 0.86 KDM4E (0.46) GPR119AXLSMN1; SMN2PDE3BPDE3A
SCHEMBL1597944 0.81 AXL (0.41) GPR119AXLSMN1; SMN2PDE3BPDE3A
SCHEMBL25395897 0.78 SIRT2 (0.46) GPR119AXLSMN1; SMN2PDE3BPDE3A
SCHEMBL25395685 0.77 LMNA (0.40) GPR119AXLSMN1; SMN2PDE3BPDE3A
SCHEMBL22923578 0.77 CYP19A1 (0.45) GPR119AXLPDE3BPDE3ACYP19A1
SCHEMBL1373505 0.76 PDE3B (0.50) GPR119SMN1; SMN2PDE3BPDE3A
SCHEMBL3945547 0.76 PTGS2 (0.41) GPR119PDE3BPDE3APBRM1
SCHEMBL22923521 0.73 PDE3B (0.56) SMN1; SMN2PDE3BPDE3A
SCHEMBL7296342 0.72 PDE3B (0.61) GPR119SMN1; SMN2PDE3BPDE3APBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP disclosed
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
US-7053088-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-05-30 US disclosed
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-01 US disclosed
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 EP disclosed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 US disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 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 (3 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-20040038969-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 GPR119 119/4885TNKS2 2675/4885TNKS 2125/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 GPR119 108/4885TNKS2 2756/4885TNKS 2385/4885
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 GPR119 108/4885TNKS2 2756/4885TNKS 2385/4885

“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.