SCHEMBL5515397

SCHEMBL5515397

CC(C)C(=O)Nc1cccc(C2CCN(CCCNC(=O)C(c3ccccc3)(c3ccccc3)c3ccccc3)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.48
DRD2 P14416 4/20 0.48
DRD4 P21917 4/20 0.48
KCNH2 Q12809 2/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46

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
SCHEMBL5511354 0.92 HTR1A (0.50) HTR1ADRD2DRD4KCNH2ADRA1D
SCHEMBL5923770 0.86 ADRA1D (0.61) ADRA1DADRA1AADRA1B
SCHEMBL5511409 0.85 DRD2 (0.48) HTR1ADRD2DRD4KCNH2ADRA1D
SCHEMBL4834047 0.81 DRD2 (0.59) DRD2
SCHEMBL4770372 0.81 DRD2 (0.47) HTR1ADRD2DRD4KCNH2ADRA1D
SCHEMBL5510884 0.80 ADRA1D (0.58) ADRA1DADRA1AADRA1B
SCHEMBL5515023 0.80 ADRA1D (0.49) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL5522239 0.80 ADRA1D (0.58) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5507311 0.78 DRD2 (0.49) DRD2ADRA1A
SCHEMBL5515034 0.77 DRD2 (0.45) HTR1ADRD2DRD4KCNH2ADRA1D

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 9 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-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
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 (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 HTR1A 5/4885DRD2 74/4885DRD4 80/4885
US-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R HTR1A 5/4885DRD2 74/4885DRD4 80/4885
US-20060041139-A9 SUBSTITUTED ALKYL AMIDO PIPERIDINES MCHR1, MCHR2, MC1R HTR1A 5/4885DRD2 74/4885DRD4 80/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R HTR1A 5/4885DRD2 74/4885DRD4 80/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R HTR1A 5/4885DRD2 74/4885DRD4 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.