SCHEMBL2966604

SCHEMBL2966604

COCc1cc2onc(C3CCN(C(=O)OC(C)(C)C)CC3)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
THRB P10828 2/20 0.44
MAPT P10636 2/20 0.44
GPR119 Q8TDV5 9/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL2955885 0.78 THRB (0.45) KDM4ETHRBMAPTGPR119HTT
SCHEMBL2968232 0.74 THRB (0.47) KDM4ETHRBMAPTGPR119GAA
SCHEMBL17495459 0.74 GPR119 (0.45) KDM4ETHRBMAPTGPR119HTT
SCHEMBL2955169 0.74 DRD2 (0.57)
SCHEMBL17495424 0.74 GPR119 (0.45) KDM4ETHRBMAPTGPR119HTT
SCHEMBL21679583 0.73 HTR2A (0.52) KDM4ETHRBMAPTGPR119SMN1; SMN2
SCHEMBL2959207 0.72 HTR1F (0.48) KDM4ETHRBMAPTGPR119HTT
SCHEMBL2959719 0.72 STS (0.45) KDM4ETHRBMAPTALDH1A1HPGD
SCHEMBL13523743 0.72 STS (0.45) KDM4ETHRBMAPTALDH1A1HPGD
SCHEMBL24960535 0.71 KDM4E (0.44) KDM4ETHRBMAPTGPR119HTT

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 US disclosed
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 US disclosed
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 US disclosed
EP-1935887-B1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMA INC (US) 2010-01-13 EP disclosed
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-10-01 US disclosed
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-10-01 US disclosed
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-10-01 US disclosed
US-7550469-B2 Heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-06-23 US disclosed
US-7550469-B2 Heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-06-23 US disclosed
US-7521445-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-04-21 US disclosed
US-20050107389-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2005-05-19 US disclosed
US-20040220173-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor AVENTIS PHARMACEUTICAL INC. (US) 2004-11-04 US disclosed
EP-1392676-A2 HETEROCYCLIC UREA DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
US-20040030137-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 US disclosed
US-20030229066-A1 Novel heterocyclic urea derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. 2003-12-11 US disclosed
EP-1361875-A2 NOVEL HETEROCYCLIC AMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals Inc. (US) 2003-11-19 EP disclosed
EP-1362039-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals, Inc. (US) 2003-11-19 EP disclosed
WO-2002066468-A2 HETEROCYCLIC UREA DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMACEUTICALS INC. (US) 2002-08-29 WO disclosed
WO-2002066469-A2 NOVEL HETEROCYCLIC AMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMACEUTICALS INC. (US) 2002-08-29 WO disclosed
WO-2002066446-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMACEUTICALS INC. (US) 2002-08-29 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 (5 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-20040030137-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 KDM4E 2030/4885THRB 239/4885MAPT 346/4885
US-20030229066-A1 Novel heterocyclic urea derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 KDM4E 1781/4885THRB 301/4885MAPT 148/4885
US-20050107389-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 KDM4E 2251/4885THRB 246/4885MAPT 421/4885
US-20040220173-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor DRD3, DRD2, DRD1 KDM4E 1485/4885THRB 243/4885MAPT 257/4885
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands DRD3, DRD2, HTR3C KDM4E 1506/4885THRB 238/4885MAPT 286/4885

“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.