SCHEMBL3138629

SCHEMBL3138629

COc1ccc(N2CCN(C)CC2)cc1NCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 1.00
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HTR2A P28223 2/20 0.51
SIRT6 Q8N6T7 1/20 0.49
EGFR P00533 1/20 0.48
HRH4 Q9H3N8 3/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
SLC6A2 P23975 1/20 0.47
HRH2 P25021 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
HTR5A P47898 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL3147514 0.88 HTR6 (1.00) HTR6HTR2ASIRT6EGFRHRH4
SCHEMBL3148347 0.88 HTR6 (1.00) HTR6HDAC1HDAC8HDAC6HTR2A
SCHEMBL3153311 0.82 HTR6 (1.00) HTR6HTR2ASIRT6EGFRADRA2B
SCHEMBL3152600 0.80 HTR6 (0.82) HTR6HTR2ASIRT6EGFRHRH4
SCHEMBL2483723 0.78 HTR6 (1.00) HTR6SIRT6MAPT
SCHEMBL24641958 0.77 HTR6 (0.62) HTR6HTR2AEGFRHRH4ADRA2B
SCHEMBL13225331 0.76 HTR6 (0.64) HTR6SIRT6EGFRHTR1DALK
SCHEMBL3148639 0.76 HTR6 (1.00) HTR6HTR2ASIRT6HRH4MEN1
SCHEMBL30017234 0.76 HTR6 (0.61) HTR6HTR2AHRH4ADRA2BADRA2C
SCHEMBL24642108 0.76 HTR6 (0.61) HTR6HTR2AHRH4ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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

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 1/4885HDAC1 1319/4885HDAC8 1064/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A HTR6 4/4885HDAC1 1204/4885HDAC8 1153/4885
US-20090042904-A1 Substituted Phenly-Piperazine Compounds, Their Preparation And Use In Medicaments HTR6, HTR5A, HTR7 HTR6 1/4885HDAC1 1923/4885HDAC8 1958/4885

“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.