SCHEMBL5124763

SCHEMBL5124763

Cc1cc(N2CCCCC2)nc(OCCN2CCN(c3cccc4[nH]ccc34)CC2)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
DRD2 P14416 5/20 0.41
DRD3 P35462 2/20 0.41
DRD4 P21917 1/20 0.41
PRKCQ Q04759 6/20 0.40
ADRA1A P35348 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
PRKCD Q05655 4/20 0.39
PRKCB P05771 1/20 0.39
LCK P06239 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCE Q02156 1/20 0.39
HTR1A P08908 3/20 0.38
HTR2A P28223 2/20 0.38

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
SCHEMBL5119242 0.85 GAA (0.43) GAADRD2DRD3DRD4ADRA1A
SCHEMBL4876915 0.80 DRD2 (0.43) DRD2
SCHEMBL5110059 0.76 DRD2 (0.48) GAADRD2DRD3DRD4PRKCQ
SCHEMBL5123581 0.75 GAA (0.46) GAADRD2DRD3DRD4ADRA1A
SCHEMBL5125783 0.75 GAA (0.44) GAADRD2DRD3DRD4PRKCQ
SCHEMBL4877006 0.74 HTR1A (0.45) DRD2HTR1A
SCHEMBL7090551 0.74 GAA (0.58) GAADRD2DRD3DRD4ADRA1A
SCHEMBL5111108 0.74 GAA (0.47) GAADRD2DRD3DRD4ADRA1A
SCHEMBL5123484 0.74 GAA (0.45) GAADRD2DRD3DRD4ADRA1A
SCHEMBL5125861 0.73 DRD2 (0.44) GAADRD2DRD3DRD4ADRA1A

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.