SCHEMBL1712910

SCHEMBL1712910

COc1ccc(CN2CCN(c3ccccc3OC(C)C)CC2)c(OC)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.52
ADRA1A P35348 4/20 0.52
ADRA1B P35368 4/20 0.52
KDM4E B2RXH2 5/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
HTR7 P34969 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
HRH2 P25021 1/20 0.49
HRH1 P35367 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
SCHEMBL18705105 0.76 PDCD1LG2 (0.43) ADRA1AKDM4ELMNAHTTTDP1
SCHEMBL2162347 0.74 GAA (0.57) KDM4ELMNAHTTMAPTALOX15
SCHEMBL18390576 0.74 PDCD1LG2 (0.46) KDM4ETDP1DRD2DRD4DRD3
SCHEMBL1713340 0.74 MAPT (0.42) ADRA1ALMNAHTTMAPTDRD2
SCHEMBL15937934 0.74 HTR7 (0.76) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL29764219 0.74 HTR7 (0.76) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL20353476 0.73 PDCD1LG2 (0.45) TDP1ALDH1A1KMT2A
SCHEMBL2161816 0.73 HTR7 (0.57) KDM4ELMNAHTTMAPTALOX15
SCHEMBL8758360 0.73 ADRA1D (0.64) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL2162555 0.72 DRD4 (0.53) ADRA1DADRA1AADRA1BKDM4ELMNA

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 10 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-2344162-A2 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-07-20 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
EP-2344162-A2 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-07-20 EP disclosed
WO-2010012817-A2 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-04 WO 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 ADRA1D 94/4885ADRA1A 63/4885ADRA1B 84/4885

“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.