SCHEMBL8057138

SCHEMBL8057138

O=c1c(O)cccn1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.58
DRD2 P14416 3/20 0.58
DRD5 P21918 3/20 0.58
HTR7 P34969 6/20 0.58
SIGMAR1 Q99720 1/20 0.55
DRD1 P21728 1/20 0.55
HTR1A P08908 1/20 0.54
HTR2A P28223 1/20 0.54

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
SCHEMBL13493143 0.92 HTR7 (0.50) DRD3DRD2DRD5HTR7SIGMAR1
SCHEMBL13496856 0.92 HTR7 (0.50) DRD3DRD2DRD5HTR7SIGMAR1
SCHEMBL13475426 0.84 KCNH2 (0.61) DRD3DRD2HTR7HTR2A
SCHEMBL11465528 0.82 SIGMAR1 (0.76) DRD3DRD2HTR7SIGMAR1DRD1
SCHEMBL11405931 0.78 SIGMAR1 (0.69) DRD3DRD2DRD5HTR7SIGMAR1
SCHEMBL9559659 0.78 SIGMAR1 (0.69) DRD3DRD2DRD5HTR7SIGMAR1
SCHEMBL6865196 0.78 HTR7 (0.87) DRD3DRD2DRD5HTR7DRD1
SCHEMBL7486480 0.77 SIGMAR1 (0.71) DRD3DRD2DRD5HTR7SIGMAR1
Hydrochloric Acid SCHEMBL7663753 0.77 HTR7 (0.85) DRD3DRD2DRD5HTR7DRD1
SCHEMBL1254473 0.76 HTR7 (0.63) DRD3DRD2DRD5HTR7SIGMAR1

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 3 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 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-0998923-A1 Use of 5-HT7 receptor agonists for the treatment or prophylaxis of ischemias BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 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 DRD3 131/4885DRD2 43/4885DRD5 95/4885

“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.