SCHEMBL5114475

SCHEMBL5114475

Cc1ccc(C(N)=O)c(OCCN2CCN(c3cccc4[nH]ccc34)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
DRD2 P14416 4/20 0.44
DRD3 P35462 2/20 0.44
ADRA1A P35348 1/20 0.44
DRD4 P21917 1/20 0.44
GOT1 P17174 4/20 0.42
PHGDH O43175 1/20 0.41
MAPT P10636 3/20 0.41
HTR1A P08908 3/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
SLC6A4 P31645 1/20 0.41
RECQL P46063 1/20 0.41
PARP1 P09874 1/20 0.40
DHODH Q02127 1/20 0.40
HTR6 P50406 1/20 0.40
MEN1 O00255 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 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
SCHEMBL5114388 0.82 GAA (0.46) GAADRD2DRD3ADRA1ADRD4
SCHEMBL4878985 0.79 HTR1A (0.48) HTR1A
SCHEMBL7090551 0.75 GAA (0.58) GAADRD2DRD3ADRA1ADRD4
SCHEMBL5117266 0.73 GAA (0.53) GAADRD2DRD3ADRA1ADRD4
SCHEMBL3208122 0.73 DRD2 (0.57) GAADRD2DRD3ADRA1ADRD4
SCHEMBL2162517 0.73 DRD2 (0.64) GAADRD2DRD3ADRA1ADRD4
SCHEMBL5114515 0.72 GAA (0.54) GAADRD2DRD3ADRA1ADRD4
SCHEMBL29046784 0.72 DRD2 (0.56) GAADRD2DRD3ADRA1ADRD4
SCHEMBL5110059 0.72 DRD2 (0.48) GAADRD2DRD3ADRA1ADRD4
Hydrochloric Acid SCHEMBL29046809 0.72 DRD2 (0.55) GAADRD2DRD3ADRA1ADRD4

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 GAA 2020/4885DRD2 14/4885DRD3 25/4885

“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.