SCHEMBL4136572

SCHEMBL4136572

O=C(O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.78
HPGD P15428 3/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
KMT2A Q03164 4/20 0.71
NPC1 O15118 2/20 0.70
GAA P10253 3/20 0.70
MAPK1 P28482 2/20 0.68
POLB P06746 3/20 0.67
TDP1 Q9NUW8 4/20 0.64
THRB P10828 1/20 0.64
TSHR P16473 1/20 0.60
AIMP2 Q13155 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.58
ALOX15 P16050 1/20 0.58
HTT P42858 1/20 0.58
RECQL P46063 1/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CYP3A4 P08684 1/20 0.58

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
SCHEMBL13202892 0.87 ALDH1A1 (0.76) ALDH1A1HPGDSMN1; SMN2KMT2ANPC1
SCHEMBL10167539 0.87 ALDH1A1 (0.97) ALDH1A1HPGDSMN1; SMN2KMT2ANPC1
SCHEMBL610143 0.84 ALDH1A1 (0.76) ALDH1A1HPGDSMN1; SMN2KMT2ANPC1
SCHEMBL3126859 0.84 ALDH1A1 (0.76) ALDH1A1HPGDSMN1; SMN2KMT2ANPC1
SCHEMBL18171334 0.84 AIMP2 (0.81) ALDH1A1HPGDSMN1; SMN2KMT2ANPC1
Hydrochloric Acid SCHEMBL18171335 0.83 AIMP2 (0.80) ALDH1A1HPGDSMN1; SMN2KMT2ANPC1
SCHEMBL2550825 0.83 GAA (0.74) ALDH1A1HPGDSMN1; SMN2KMT2ANPC1
Hydrochloric Acid SCHEMBL31235619 0.83 ALDH1A1 (0.74) ALDH1A1HPGDSMN1; SMN2KMT2ANPC1
Hydrochloric Acid SCHEMBL8335181 0.83 ALDH1A1 (0.74) ALDH1A1HPGDSMN1; SMN2KMT2ANPC1
SCHEMBL12593464 0.83 ALDH1A1 (0.74) ALDH1A1HPGDSMN1; SMN2KMT2ANPC1

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 8 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
WO-2006106241-A1 PIPERAZINE DERIVATIVES AND USE THEREOF AS SEROTONIN REUPTAKE INHIBITORS OR AS NEUROKININ ANTAGONISTS LES LABORATOIRES SERVIER (FR) 2006-10-12 WO 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 ALDH1A1 1565/4885HPGD 1704/4885SMN1; SMN2 3546/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R ALDH1A1 1565/4885HPGD 1704/4885SMN1; SMN2 3546/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R ALDH1A1 1565/4885HPGD 1704/4885SMN1; SMN2 3546/4885

“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.