SCHEMBL5123496

SCHEMBL5123496

Brc1ncccc1OCCN1CCN(c2cccc3[nH]ccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.50
DRD3 P35462 2/20 0.50
DRD4 P21917 1/20 0.50
HTR1A P08908 7/20 0.49
SLC6A4 P31645 3/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
GAA P10253 3/20 0.47
HTR6 P50406 3/20 0.47
HTR2A P28223 2/20 0.47
HTR7 P34969 2/20 0.47
MAPT P10636 1/20 0.47
GNRHR P30968 4/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
ADRB1 P08588 1/20 0.45
MEN1 O00255 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5125845 0.88 DRD2 (0.53) DRD2DRD3DRD4HTR1ASLC6A4
SCHEMBL5117266 0.88 GAA (0.53) DRD2DRD3DRD4HTR1ASLC6A4
Hydrochloric Acid SCHEMBL29046802 0.87 DRD2 (0.52) DRD2DRD3DRD4HTR1ASLC6A4
SCHEMBL7093565 0.81 DRD3 (0.55) DRD2DRD3DRD4HTR1ASLC6A4
SCHEMBL5110059 0.80 DRD2 (0.48) DRD2DRD3DRD4HTR1ASLC6A4
SCHEMBL2162517 0.79 DRD2 (0.64) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL7090551 0.77 GAA (0.58) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL7094229 0.77 GAA (0.62) DRD2DRD3DRD4HTR1ASLC6A4
SCHEMBL5114515 0.76 GAA (0.54) DRD2DRD3DRD4HTR1ASLC6A4
SCHEMBL7090063 0.76 DRD2 (0.54) DRD2DRD3DRD4HTR1ASLC6A4

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-7342015-B2 Indole derivatives H. LUNDBECK A/S (DK) 2008-03-11 US claimed
US-20060258678-A1 Novel indole derivatives H. LUNDBECK A/S (DK) 2006-11-16 US claimed
EP-1399434-B1 NOVEL INDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2005-09-07 EP claimed
US-7342015-B2 Indole derivatives H. LUNDBECK A/S (DK) 2008-03-11 US disclosed
US-20060258678-A1 Novel indole derivatives H. LUNDBECK A/S (DK) 2006-11-16 US disclosed
EP-1399434-B1 NOVEL INDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2005-09-07 EP disclosed
EP-1399434-A1 NOVEL INDOLE DERIVATIVES H. Lundbeck A/S (DK) 2004-03-24 EP disclosed
WO-2003002552-A1 NOVEL INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2003-01-09 WO 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-20060258678-A1 Novel indole derivatives IDO1, TPH1, HTR5A DRD2 14/4885DRD3 25/4885DRD4 20/4885

“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.