SCHEMBL4700610

SCHEMBL4700610

COC(=O)c1ncccc1-c1ccc(C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 5/20 0.49
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
DRD1 P21728 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
METAP2 P50579 2/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 2/20 0.39
ACLY P53396 1/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL698991 0.83 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL5517057 0.82 SLC6A3 (0.59) L3MBTL1ALDH1A1MKNK1MKNK2METAP2
SCHEMBL28865711 0.82 L3MBTL1 (0.51) L3MBTL1ALDH1A1MKNK1MKNK2METAP2
SCHEMBL30499558 0.82 SLC6A4 (0.59) L3MBTL1ALDH1A1MKNK1MKNK2METAP2
SCHEMBL22290184 0.82 SLC6A4 (0.59) L3MBTL1ALDH1A1MKNK1MKNK2METAP2
SCHEMBL9301522 0.82 SLC6A3 (0.57) L3MBTL1MKNK1MKNK2METAP2SLC6A3
SCHEMBL2560830 0.82 KDM4E (0.47) L3MBTL1ALDH1A1MKNK1MKNK2DRD1
SCHEMBL28250388 0.81 L3MBTL1 (0.50) L3MBTL1ALDH1A1MKNK1MKNK2METAP2
SCHEMBL69177 0.81 L3MBTL1 (0.64) L3MBTL1ALDH1A1KDM4EMAPTHPGD
SCHEMBL4696972 0.79 ERN1 (0.50) L3MBTL1ALDH1A1METAP2LMNAALOX15

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 L3MBTL1 4125/4885ALDH1A1 2565/4885MKNK1 4344/4885

“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.