SCHEMBL4132001

SCHEMBL4132001

N#Cc1ccc2c(c1)C(N1CCN(C(=O)O)CC1)C(O)CCO2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.43
ABCC9 O60706 2/20 0.39
ABCC8 Q09428 2/20 0.39
KCNJ11 Q14654 2/20 0.39
KCNJ8 Q15842 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
RIPK1 Q13546 1/20 0.37
HCRTR2 O43614 1/20 0.37
MGLL Q99685 2/20 0.36
DRD2 P14416 6/20 0.36
DRD3 P35462 6/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL4132005 1.00 ABCB1 (0.43) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4132009 1.00 ABCB1 (0.43) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4120064 0.89 ABCB1 (0.45) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4120056 0.89 ABCB1 (0.45) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4120052 0.89 ABCB1 (0.45) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4119743 0.83 ADRA2A (0.37) LMNAHCRTR2
SCHEMBL4119746 0.83 ADRA2A (0.37) LMNAHCRTR2
SCHEMBL4119739 0.83 ADRA2A (0.37) LMNAHCRTR2
SCHEMBL4119999 0.82 RORC (0.41) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4119994 0.82 RORC (0.41) ABCB1ABCC9ABCC8KCNJ11KCNJ8

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 ABCB1 1141/4885ABCC9 1490/4885ABCC8 344/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R ABCB1 1141/4885ABCC9 1490/4885ABCC8 344/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R ABCB1 1141/4885ABCC9 1490/4885ABCC8 344/4885

“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.