SCHEMBL4697928

SCHEMBL4697928

COC(=O)c1ncccc1-c1ccc(C=O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.45
ACLY P53396 1/20 0.44
METAP2 P50579 2/20 0.43
BDKRB1 P46663 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
DHODH Q02127 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ABL1 P00519 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
TGFBR1 P36897 1/20 0.38

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
SCHEMBL4696972 0.85 ERN1 (0.50) ERN1METAP2L3MBTL1ALOX15HTT
SCHEMBL28250987 0.81 ACLY (0.45) ACLYMETAP2BDKRB1L3MBTL1ALOX15
SCHEMBL4700610 0.79 L3MBTL1 (0.49) ACLYMETAP2L3MBTL1ALOX15HTT
SCHEMBL22290184 0.79 SLC6A4 (0.59) ACLYMETAP2L3MBTL1
SCHEMBL30499558 0.79 SLC6A4 (0.59) ACLYMETAP2L3MBTL1
SCHEMBL9301522 0.76 SLC6A3 (0.57) ACLYMETAP2L3MBTL1ALOX15HTT
SCHEMBL2561503 0.75 L3MBTL1 (0.57) ERN1L3MBTL1ALOX15HTTHCRTR1
SCHEMBL69177 0.75 L3MBTL1 (0.64) L3MBTL1ALOX15HTT
SCHEMBL698991 0.74 L3MBTL1 (0.55) ACLYL3MBTL1HTTHCRTR1HCRTR2
SCHEMBL28865711 0.73 L3MBTL1 (0.51) ACLYMETAP2BDKRB1L3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GLAXO GROUP LIMITED 2008-12-18 US disclosed
EP-1902022-A1 PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS GLAXO GROUP LIMITED (GB) 2008-03-26 EP disclosed
WO-2007007018-A1 PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-18 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-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GPR68, GPR55, GPR88 ERN1 4396/4885ACLY 3564/4885METAP2 3925/4885

“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.