SCHEMBL2162489

SCHEMBL2162489

Fc1ccccc1CN1CCN(c2cccc3[nH]ccc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.74
MAPT P10636 1/20 0.74
DRD2 P14416 3/20 0.69
DRD4 P21917 2/20 0.69
DRD3 P35462 2/20 0.69
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 1/20 0.54
GFER P55789 1/20 0.54
HTR6 P50406 2/20 0.53
ADRB1 P08588 1/20 0.53
GLA P06280 1/20 0.51
POLB P06746 2/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
HTR1A P08908 2/20 0.49
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48

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
SCHEMBL2161683 0.85 GAA (1.00) GAAMAPTDRD2DRD4DRD3
SCHEMBL2161609 0.82 DRD4 (1.00) GAAMAPTDRD2DRD4DRD3
SCHEMBL7538111 0.79 GAA (0.65) GAAMAPTDRD2DRD4DRD3
SCHEMBL6195601 0.78 DRD2 (0.57) GAAMAPTDRD2DRD4DRD3
SCHEMBL7534110 0.78 DRD2 (0.65) GAAMAPTDRD2DRD4DRD3
SCHEMBL2163033 0.77 GAA (0.77) GAAMAPTDRD2DRD4DRD3
SCHEMBL23102103 0.77 DRD2 (0.68) GAAMAPTDRD2DRD4DRD3
SCHEMBL7539793 0.77 GAA (0.56) GAAMAPTDRD2DRD4DRD3
SCHEMBL7539800 0.77 GAA (0.56) GAAMAPTDRD2DRD4DRD3
SCHEMBL2161656 0.76 DRD2 (0.73) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US claimed
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.