SCHEMBL5124430

SCHEMBL5124430

Clc1cncc(OCCN2CCN(c3cccc4[nH]ccc34)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.53
DRD3 P35462 4/20 0.53
DRD4 P21917 1/20 0.52
GAA P10253 4/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RECQL P46063 1/20 0.45
DRD1 P21728 2/20 0.45
GOT1 P17174 2/20 0.45
HTR6 P50406 3/20 0.44
ADRB1 P08588 1/20 0.44
ADRA1A P35348 1/20 0.44
PRKCQ Q04759 2/20 0.44
PRKCB P05771 1/20 0.44
LCK P06239 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCE Q02156 1/20 0.44

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
SCHEMBL2162517 0.82 DRD2 (0.64) DRD2DRD3DRD4GAAMAPT
SCHEMBL29046764 0.80 DRD2 (0.56) DRD2DRD3DRD4GAAMAPT
Hydrochloric Acid SCHEMBL29046793 0.79 DRD2 (0.55) DRD2DRD3DRD4GAAMAPT
SCHEMBL5125845 0.78 DRD2 (0.53) DRD2DRD3DRD4GAAMAPT
Hydrochloric Acid SCHEMBL29046802 0.78 DRD2 (0.52) DRD2DRD3DRD4GAAMAPT
SCHEMBL4874654 0.77 DRD2 (0.54) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL7090551 0.76 GAA (0.58) DRD2DRD3DRD4GAAMAPT
SCHEMBL5114515 0.76 GAA (0.54) DRD2DRD3DRD4GAAMAPT
SCHEMBL29046765 0.76 DRD2 (0.56) DRD2DRD3DRD4GAAMAPT
SCHEMBL29046784 0.76 DRD2 (0.56) DRD2DRD3DRD4GAAMAPT

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-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
EP-1399434-A1 NOVEL INDOLE DERIVATIVES H. Lundbeck A/S (DK) 2004-03-24 EP claimed
WO-2003002552-A1 NOVEL INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2003-01-09 WO 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.