SCHEMBL2161683

SCHEMBL2161683

Clc1ccccc1CN1CCN(c2cccc3[nH]ccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 1.00
MAPT P10636 5/20 1.00
DRD2 P14416 5/20 0.73
DRD4 P21917 5/20 0.73
DRD3 P35462 5/20 0.73
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 3/20 0.66
PLA2G1B P04054 1/20 0.66
RAB9A P51151 1/20 0.66
ATG4B Q9Y4P1 1/20 0.66
MEN1 O00255 1/20 0.54
GFER P55789 1/20 0.54
KMT2A Q03164 1/20 0.54
HTT P42858 2/20 0.53
ADRB1 P08588 1/20 0.53
HTR6 P50406 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RECQL P46063 1/20 0.50
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL2163033 0.87 GAA (0.77) GAAMAPTDRD2DRD4DRD3
SCHEMBL2162489 0.85 GAA (0.74) GAAMAPTDRD2DRD4DRD3
SCHEMBL2161609 0.84 DRD4 (1.00) GAAMAPTDRD2DRD4DRD3
SCHEMBL6411597 0.81 ALDH1A1 (1.00) GAAMAPTDRD2DRD4DRD3
SCHEMBL2161659 0.81 DRD2 (0.73) GAAMAPTDRD2DRD4DRD3
SCHEMBL7538111 0.79 GAA (0.65) GAAMAPTDRD2DRD4DRD3
SCHEMBL7090741 0.78 GAA (0.64) GAAMAPTDRD2DRD4DRD3
SCHEMBL7732059 0.78 DRD2 (0.69) GAAMAPTDRD2DRD4DRD3
SCHEMBL7094839 0.77 GAA (0.63) GAAMAPTDRD2DRD4DRD3
SCHEMBL23102103 0.77 DRD2 (0.68) GAAMAPTDRD2DRD4DRD3

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-2149373-A1 5HT7 receptor ligands and compositions comprising the same Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 EP claimed
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US disclosed
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US disclosed
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US disclosed
WO-2010012817-A2 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-04 WO disclosed
EP-2149373-A1 5HT7 receptor ligands and compositions comprising the same Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 EP disclosed
EP-2149373-A1 5HT7 receptor ligands and compositions comprising the same Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 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 (1 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-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME HTR7, HTR1A, HTR6 GAA 2744/4885MAPT 1023/4885DRD2 43/4885

“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.