SCHEMBL2484035

SCHEMBL2484035

CC1CN(c2ccc([N+](=O)[O-])c(NCCOc3ccc(Cl)cc3)c2)CC(C)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
HTR6 P50406 5/20 0.72
MAPT P10636 14/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
HTT P42858 3/20 0.70
NPSR1 Q6W5P4 2/20 0.70
ALDH1A1 P00352 3/20 0.60
LMNA P02545 3/20 0.59
TDP1 Q9NUW8 3/20 0.58
HPGD P15428 2/20 0.58
MEN1 O00255 1/20 0.58
MAPK1 P28482 3/20 0.57
ALPG P10696 1/20 0.52
POLB P06746 2/20 0.51
PKM P14618 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 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
SCHEMBL16211116 0.90 MAPT (0.83) KMT2AHTR6MAPTSMN1; SMN2HTT
SCHEMBL2484500 0.83 HTR6 (1.00) KMT2AHTR6MAPTHTTNPSR1
SCHEMBL2482149 0.83 HTR6 (0.83) KMT2AHTR6MAPTSMN1; SMN2HTT
SCHEMBL14740390 0.80 MAPT (0.82) KMT2AHTR6MAPTSMN1; SMN2HTT
SCHEMBL2483585 0.75 HTR6 (1.00) KMT2AHTR6MAPTSMN1; SMN2HTT
SCHEMBL2481734 0.74 HTR6 (1.00) KMT2AHTR6MAPTSMN1; SMN2HTT
SCHEMBL13928891 0.73 HTR6 (0.83) KMT2AHTR6MAPTSMN1; SMN2HTT
SCHEMBL2485838 0.73 HTR6 (1.00) KMT2AHTR6MAPTSMN1; SMN2HTT
SCHEMBL15845175 0.71 KMT2A (0.65) KMT2AHTR6MAPTSMN1; SMN2HTT
SCHEMBL3316233 0.69 ALDH1A1 (0.65) KMT2AHTR6MAPTSMN1; SMN2HTT

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
EP-1851210-B1 NITRO-SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2011-10-19 EP claimed
EP-1851210-B1 NITRO-SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2011-10-19 EP disclosed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KMT2A 1698/4885HTR6 1/4885MAPT 1416/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A KMT2A 1202/4885HTR6 4/4885MAPT 1966/4885

“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.