SCHEMBL4121878

SCHEMBL4121878

O=C(c1ccccn1)N1CCN([C@H]2c3ccccc3C[C@H]2OCc2cc(Br)cc(Br)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
NAMPT P43490 2/20 0.38
DRD2 P14416 3/20 0.37
HTR2A P28223 2/20 0.37
GAA P10253 3/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RBP4 P02753 1/20 0.35
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 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
Hydrochloric Acid SCHEMBL4120140 0.99 L3MBTL1 (0.44) L3MBTL1NAMPTDRD2HTR2AGAA
SCHEMBL4124182 0.85 FAAH (0.36)
SCHEMBL4124184 0.85 FAAH (0.36)
SCHEMBL4136363 0.81 MMP9 (0.39) NAMPT
SCHEMBL4137183 0.77 TACR1 (0.42) HTR2A
SCHEMBL4137188 0.77 TACR1 (0.42) HTR2A
SCHEMBL5198694 0.77 TACR1 (0.42) HTR2A
SCHEMBL4126854 0.77 TACR1 (0.42) HTR2A
Hydrochloric Acid SCHEMBL4127165 0.76 TACR1 (0.42)
Hydrochloric Acid SCHEMBL4120832 0.76 TACR1 (0.42)

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 L3MBTL1 4392/4885NAMPT 2978/4885DRD2 81/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R L3MBTL1 4392/4885NAMPT 2978/4885DRD2 81/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R L3MBTL1 4392/4885NAMPT 2978/4885DRD2 81/4885

“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.