SCHEMBL12401748

SCHEMBL12401748

c1cc(N2CCN(Cc3ccc(CC4CCCCC4)cc3)CC2)c2cc[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.69
DRD4 P21917 6/20 0.69
DRD3 P35462 6/20 0.69
GAA P10253 5/20 0.68
MAPT P10636 3/20 0.57
MEN1 O00255 1/20 0.54
GFER P55789 1/20 0.54
KMT2A Q03164 1/20 0.54
ADRB1 P08588 1/20 0.48
HTR6 P50406 1/20 0.48
HTR1A P08908 3/20 0.44
MAPK14 Q16539 1/20 0.43
RECQL P46063 1/20 0.43
CCR3 P51677 1/20 0.42
GOT1 P17174 2/20 0.41

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
SCHEMBL2161609 0.82 DRD4 (1.00) DRD2DRD4DRD3GAAMAPT
SCHEMBL2161659 0.78 DRD2 (0.73) DRD2DRD4DRD3GAAMAPT
SCHEMBL2161800 0.78 DRD2 (0.59) DRD2DRD4DRD3GAAMAPT
SCHEMBL7940933 0.77 DRD2 (0.55) DRD2DRD4DRD3GAAMAPT
SCHEMBL2161629 0.76 DRD2 (0.70) DRD2DRD4DRD3GAAMAPT
SCHEMBL13493196 0.76 DRD2 (0.70) DRD2DRD4DRD3GAAMAPT
SCHEMBL2161656 0.76 DRD2 (0.73) DRD2DRD4DRD3GAAMAPT
SCHEMBL7732059 0.76 DRD2 (0.69) DRD2DRD4DRD3GAAMAPT
SCHEMBL6068278 0.75 DRD2 (0.50) DRD2DRD4DRD3GAAMAPT
SCHEMBL27542561 0.75 DRD2 (0.50) DRD2DRD4DRD3GAAMAPT

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 1 patent. 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

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 DRD2 43/4885DRD4 70/4885DRD3 131/4885

“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.