SCHEMBL3148917

SCHEMBL3148917

CN1CCN(c2ccc(NS(=O)(=O)c3ccccc3)c(NCc3ccccc3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.60
SIRT6 Q8N6T7 1/20 0.60
HTR2A P28223 1/20 0.59
MAPT P10636 10/20 0.58
TP53 P04637 8/20 0.58
RAD52 P43351 2/20 0.54
GAA P10253 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL3137444 0.89 HTR6 (0.63) HTR6SIRT6HTR2AMAPTALDH1A1
SCHEMBL3147476 0.80 HTR6 (0.67) HTR6SIRT6HTR2AMAPTGAA
SCHEMBL3619818 0.78 HTR6 (0.58) HTR6HTR2AMAPTTP53RAD52
SCHEMBL15722449 0.77 HTR6 (0.70) HTR6SIRT6HTR2AMAPTGAA
SCHEMBL2476652 0.77 HTR6 (0.70) HTR6SIRT6HTR2AMAPTGAA
Hydrochloric Acid SCHEMBL3617007 0.77 RAD52 (0.59) HTR6HTR2ARAD52ALDH1A1HTT
Hydrochloric Acid SCHEMBL3611439 0.77 HTR6 (0.57) HTR6HTR2AMAPTTP53RAD52
SCHEMBL3624218 0.76 RAD52 (0.53) HTR6HTR2AMAPTRAD52GAA
SCHEMBL3613608 0.76 MAPT (0.65) HTR6SIRT6MAPTRAD52SMN1; SMN2
SCHEMBL3618341 0.76 RAD52 (0.64) HTR6HTR2ARAD52ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101142201-A Substituted phenyl-piperazine compounds, their preparation and use in medicaments ESTEVE LABOR DR (ES) 2008-03-12 CN claimed
EP-1844031-A1 SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-17 EP claimed
EP-1695971-A1 Substituted phenyl-piperazine compounds, their preparation and use in medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-08-30 EP claimed
WO-2006069807-A1 SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 WO claimed
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US disclosed
CN-101563106-A Combination of nmda- receptor ligand and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2009-10-21 CN disclosed
CN-101500611-A Combination of a cholinesterase inhibitor and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2009-08-05 CN disclosed
EP-2081600-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-29 EP disclosed
EP-2040755-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-04-01 EP disclosed
US-20090042904-A1 Substituted Phenly-Piperazine Compounds, Their Preparation And Use In Medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-02-12 US disclosed
US-20090042904-A1 Substituted Phenly-Piperazine Compounds, Their Preparation And Use In Medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-02-12 US disclosed
US-20090042904-A1 Substituted Phenly-Piperazine Compounds, Their Preparation And Use In Medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-02-12 US disclosed
WO-2008034815-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-27 WO disclosed
EP-1902733-A1 Combination of a NMDA-receptor ligand and a compound with 5-HT6 receptor affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-26 EP disclosed
CN-101142201-A Substituted phenyl-piperazine compounds, their preparation and use in medicaments ESTEVE LABOR DR (ES) 2008-03-12 CN disclosed
WO-2007147883-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-27 WO disclosed
EP-1844031-A1 SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-17 EP disclosed
EP-1695971-A1 Substituted phenyl-piperazine compounds, their preparation and use in medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-08-30 EP disclosed
WO-2006069807-A1 SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 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 (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-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE HTR6 1/4885SIRT6 446/4885HTR2A 16/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A HTR6 4/4885SIRT6 1315/4885HTR2A 23/4885
US-20090042904-A1 Substituted Phenly-Piperazine Compounds, Their Preparation And Use In Medicaments HTR6, HTR5A, HTR7 HTR6 1/4885SIRT6 270/4885HTR2A 4/4885

“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.