SCHEMBL1713340

SCHEMBL1713340

COc1ccc(CN2CCN(c3ccc(C)cc3C)CC2)c(OC)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HTR1A P08908 2/20 0.41
DRD2 P14416 6/20 0.41
DRD4 P21917 3/20 0.41
IGF1R P08069 1/20 0.41
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL18390576 0.77 PDCD1LG2 (0.46) DRD2DRD4
SCHEMBL20353476 0.76 PDCD1LG2 (0.45)
SCHEMBL2161816 0.75 HTR7 (0.57) MAPTLMNAHTTDRD2DRD4
SCHEMBL2162555 0.75 DRD4 (0.53) MAPTLMNAHTTHTR1ADRD2
SCHEMBL1712910 0.74 ADRA1D (0.52) MAPTLMNAHTTDRD2DRD4
SCHEMBL18705105 0.74 PDCD1LG2 (0.43) LMNAHTTDRD2HTR2AADRA1A
SCHEMBL2162347 0.73 GAA (0.57) MAPTLMNAHTTHTR1ADRD2
SCHEMBL20965501 0.72 PDCD1LG2 (0.42) HTR1A
SCHEMBL2161584 0.71 KDM4E (0.52) MAPTLMNAHTTHTR1ADRD2
SCHEMBL2161792 0.71 KDM4E (0.62) MAPTTP53LMNAHTR7

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 MAPT 1023/4885TP53 4591/4885LMNA 2637/4885

“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.