SCHEMBL5515034

SCHEMBL5515034

CC(C)C(=O)Nc1cccc(C2CCN(CCCNC(=O)C3(c4ccc(Cl)cc4)CC3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.45
MCHR1 Q99705 1/20 0.43
DRD3 P35462 1/20 0.42
DRD4 P21917 4/20 0.42
HTR1A P08908 3/20 0.42
KCNH2 Q12809 2/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL5509417 0.97 DRD2 (0.45) DRD2MCHR1DRD3DRD4HTR1A
SCHEMBL5515430 0.97 DRD2 (0.46) DRD2MCHR1DRD3DRD4HTR1A
SCHEMBL5511457 0.96 DRD2 (0.46) DRD2MCHR1DRD3DRD4HTR1A
SCHEMBL5509918 0.89 KCNH2 (0.46) DRD2MCHR1DRD4HTR1AKCNH2
SCHEMBL5517092 0.88 KCNH2 (0.47) DRD2MCHR1DRD4HTR1AKCNH2
SCHEMBL5522239 0.85 ADRA1D (0.58) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5515023 0.85 ADRA1D (0.49) DRD2MCHR1DRD4ADRA1DADRA1A
SCHEMBL5511409 0.83 DRD2 (0.48) DRD2MCHR1DRD4HTR1AKCNH2
SCHEMBL5511501 0.83 DRD2 (0.67) DRD2MCHR1ADRA1A
SCHEMBL5511369 0.80 DRD2 (0.65) DRD2MCHR1ADRA1A

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-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 US disclosed
US-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 US disclosed
US-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 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
US-20040186103-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-09-23 US 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 (4 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 DRD2 74/4885MCHR1 1/4885DRD3 103/4885
US-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R DRD2 74/4885MCHR1 1/4885DRD3 103/4885
US-20060041139-A9 SUBSTITUTED ALKYL AMIDO PIPERIDINES MCHR1, MCHR2, MC1R DRD2 74/4885MCHR1 1/4885DRD3 103/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R DRD2 74/4885MCHR1 1/4885DRD3 103/4885

“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.