SCHEMBL4775609

SCHEMBL4775609

CCCC(=O)Nc1ccc(OC)c(C2CCN(CCCN)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
DRD4 P21917 1/20 0.48
HTR1D P28221 8/20 0.45
HTR1B P28222 8/20 0.45
DRD2 P14416 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL5521890 0.87 MEN1 (0.54) DRD4HTR1DHTR1BDRD2MEN1
SCHEMBL4775506 0.85 DRD2 (0.48) NPSR1SMN1; SMN2DRD2
SCHEMBL5923701 0.84 DRD4 (0.45) NPSR1SMN1; SMN2DRD4DRD2MEN1
SCHEMBL5923702 0.82 ADRA1D (0.52)
SCHEMBL29246270 0.81 NPSR1 (0.58) NPSR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5512303 0.81 ADRA1D (0.47)
SCHEMBL4768059 0.80 DRD2 (0.56) DRD4DRD2
SCHEMBL6646479 0.75 DRD2 (0.52) DRD2MEN1KMT2A
SCHEMBL6920636 0.75 MCHR1 (0.58) SMN1; SMN2DRD4HTR1DHTR1BDRD2
SCHEMBL6827607 0.74 SMN1; SMN2 (0.53) NPSR1SMN1; SMN2HTR1DHTR1BDRD2

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
EP-1590326-A4 SUBSTITUTED ALKYL AMIDO PIPERIDINES LUNDBECK & CO AS H (DK) 2008-04-30 EP disclosed
US-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 US disclosed
US-20060217418-A1 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2006-09-28 US disclosed
US-7105544-B2 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-09-12 US disclosed
US-20060084649-A9 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-04-20 US disclosed
US-20060041139-A9 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. LUNDBECK A/S (DK) 2006-02-23 US disclosed
EP-1590326-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. Lundbeck A/S (DK) 2005-11-02 EP disclosed
US-20040186103-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-09-23 US disclosed
WO-2004064764-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. LUNDBECK A/S (DK) 2004-08-05 WO disclosed
US-20040073036-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-15 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 (5 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-20040073036-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R NPSR1 30/4885SMN1; SMN2 869/4885DRD4 80/4885
US-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R NPSR1 30/4885SMN1; SMN2 869/4885DRD4 80/4885
US-20060041139-A9 SUBSTITUTED ALKYL AMIDO PIPERIDINES MCHR1, MCHR2, MC1R NPSR1 30/4885SMN1; SMN2 869/4885DRD4 80/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R NPSR1 30/4885SMN1; SMN2 869/4885DRD4 80/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R NPSR1 30/4885SMN1; SMN2 869/4885DRD4 80/4885

“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.