SCHEMBL4698216

SCHEMBL4698216

CCOC(OCC)c1ccc(C(Cl)C(=O)C(=O)OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.48
PTGS2 P35354 8/20 0.48
BCHE P06276 6/20 0.48
EPHX1 P07099 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 3/20 0.32
HIF1A Q16665 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL268686 0.81 L3MBTL1 (0.46) NPC1RAB9ALMNAHTTSMN1; SMN2
SCHEMBL923969 0.80 CYP1A2 (0.46) RAB9ALMNASMN1; SMN2
SCHEMBL11370324 0.79 CA1 (0.50) NPC1RAB9ALMNAHTTSMN1; SMN2
SCHEMBL1968557 0.78 TDP1 (0.42) ACHELMNASMN1; SMN2
SCHEMBL268626 0.78 TDP1 (0.42) ACHELMNASMN1; SMN2
SCHEMBL497246 0.78 BRD4 (0.43)
SCHEMBL496445 0.77 RAB9A (0.46) PTGS2NPC1RAB9ASMN1; SMN2ACACB
SCHEMBL270922 0.77 HDAC3 (0.42) NPC1RAB9ALMNAHTT
SCHEMBL496468 0.76 KMT2A (0.50) PTGS2LMNAHTT
SCHEMBL14850018 0.73 BCHE (0.53) ACHEPTGS2BCHERAB9A

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 ACHE 3499/4885PTGS2 1390/4885BCHE 4184/4885

“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.