SCHEMBL4130538

SCHEMBL4130538

CC(=O)N1CC2OC2c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.64
BRD4 O60885 2/20 0.43
HSD17B3 P37058 4/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTT P42858 1/20 0.38
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37

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
SCHEMBL5560266 0.80 KDM1A (0.44) NOTUM
SCHEMBL28389498 0.78 NOTUM (0.70) NOTUMBRD4HSD17B3HTR1ADRD2
SCHEMBL14294095 0.78 NOTUM (1.00) NOTUMBRD4HSD17B3DRD2HTT
SCHEMBL10246760 0.77 NOTUM (0.64) NOTUMBRD4HSD17B3HTR1ADRD2
SCHEMBL27603646 0.76 NOTUM (0.62) NOTUMBRD4HSD17B3HTR1ADRD2
SCHEMBL28360710 0.74 NOTUM (0.64) NOTUMBRD4HSD17B3HTR1ADRD2
SCHEMBL14543698 0.74 NOTUM (0.64) NOTUMBRD4HSD17B3HTR1ADRD2
SCHEMBL10192243 0.74 NOTUM (0.64) NOTUMBRD4HSD17B3HTR1ADRD2
SCHEMBL8482798 0.74 NOTUM (0.69) NOTUMBRD4HSD17B3HTR2A
SCHEMBL12377535 0.74 NOTUM (0.59) NOTUMBRD4HSD17B3HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612061-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-11-03 US disclosed
US-20090076030-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-03-19 US disclosed
US-20090075982-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-03-19 US disclosed
US-7465733-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2008-12-16 US disclosed
EP-1710240-B1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists SERVIER LAB (FR) 2007-12-05 EP disclosed
US-20060229318-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-12 US disclosed
EP-1710240-A1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists Les Laboratoires Servier (FR) 2006-10-11 EP 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 (3 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-20090075982-A1 Piperazine compounds HTR7, HTR5A, NPY5R NOTUM 3740/4885BRD4 1665/4885HSD17B3 775/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R NOTUM 3740/4885BRD4 1665/4885HSD17B3 775/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R NOTUM 3740/4885BRD4 1665/4885HSD17B3 775/4885

“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.