SCHEMBL2678587

SCHEMBL2678587

CC(C)(C)OC(=O)N1CCC(Cc2cccc(-c3ccncc3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.53
SLC2A1 P11166 1/20 0.51
CYP46A1 Q9Y6A2 1/20 0.48
USP30 Q70CQ3 2/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
KDM1A O60341 1/20 0.46
FAAH O00519 1/20 0.45

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
SCHEMBL1363667 0.87 KDM4E (0.48) GPR119PTPN2PTPN1PTPN6KDM4E
Hydrochloric Acid SCHEMBL1362705 0.86 KDM4E (0.47) GPR119PTPN2PTPN1PTPN6KDM4E
SCHEMBL4036422 0.85 GPR119 (0.54) GPR119SLC2A1KDM4EPKMFAAH
SCHEMBL27233609 0.85 GPR119 (0.55) GPR119PTPN2PTPN1PTPN6KDM4E
SCHEMBL27233615 0.85 GPR119 (0.55) GPR119USP30KDM4EPKM
SCHEMBL6392640 0.83 CYP46A1 (0.54) CYP46A1HTR1AHTR1DHTR1BFAAH
SCHEMBL18617673 0.82 KDM4E (0.52) GPR119KDM4EPKM
SCHEMBL1364206 0.81 HDAC1 (0.45) GPR119SLC2A1USP30KDM4EPKM
SCHEMBL1532820 0.81 KDM4E (0.55) GPR119USP30PTPN2PTPN1PTPN6
SCHEMBL14852116 0.81 GPR119 (0.51) GPR119KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035897-A1 Pyridine, pyrimidine and pyrazine derivatives as gpcr agonists PROSIDION LIMITED (GB) 2010-02-11 US claimed
EP-1838698-A1 PYRIMIDINE DERIVATIVES AS GPCR AGONISTS Prosidion Limited (GB) 2007-10-03 EP claimed
WO-2006070208-A1 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS GPCR AGONISTS PROSIDION LTD. (GB) 2006-07-06 WO claimed
US-8173807-B2 Pyridine, pyrimidine and pyrazine derivatives as GPCR agonists PROSIDION LIMITED (GB) 2012-05-08 US disclosed
EP-1838698-B1 PYRIMIDINE DERIVATIVES AS GPCR AGONISTS PROSIDION LTD (GB) 2010-09-01 EP disclosed
US-20100035897-A1 Pyridine, pyrimidine and pyrazine derivatives as gpcr agonists PROSIDION LIMITED (GB) 2010-02-11 US disclosed
EP-1838698-A1 PYRIMIDINE DERIVATIVES AS GPCR AGONISTS Prosidion Limited (GB) 2007-10-03 EP disclosed
WO-2006070208-A1 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS GPCR AGONISTS PROSIDION LTD. (GB) 2006-07-06 WO disclosed
US-20050176724-A1 Piperidine and piperazine derivatives possessing affinity at 5ht-1 type receptors GLAXO GROUP LIMITED (GB) 2005-08-11 US disclosed
EP-1476161-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2004-11-17 EP disclosed
WO-2003068236-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2003-08-21 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 (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-20050176724-A1 Piperidine and piperazine derivatives possessing affinity at 5ht-1 type receptors HTR5A, HTR2C, HTR3C GPR119 152/4885SLC2A1 821/4885CYP46A1 3835/4885
US-20100035897-A1 Pyridine, pyrimidine and pyrazine derivatives as gpcr agonists GPR119, GPR52, GPR65 GPR119 1/4885SLC2A1 668/4885CYP46A1 1455/4885

“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.