SCHEMBL5522239

SCHEMBL5522239

CC(C)C(=O)Nc1cccc(C2CCN(CCCNC(=O)C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.58
ADRA1A P35348 2/20 0.58
ADRA1B P35368 2/20 0.58
SLC6A2 P23975 3/20 0.57
SLC6A3 Q01959 3/20 0.57
SLC6A4 P31645 1/20 0.57
DRD2 P14416 1/20 0.47

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
SCHEMBL5515023 0.93 ADRA1D (0.49) ADRA1DADRA1AADRA1BSLC6A2SLC6A3
SCHEMBL5923770 0.92 ADRA1D (0.61) ADRA1DADRA1AADRA1BSLC6A2SLC6A3
SCHEMBL5510884 0.91 ADRA1D (0.58) ADRA1DADRA1AADRA1BSLC6A2SLC6A3
SCHEMBL5511409 0.86 DRD2 (0.48) ADRA1DADRA1AADRA1BDRD2
SCHEMBL5515034 0.85 DRD2 (0.45) ADRA1DADRA1AADRA1BDRD2
SCHEMBL5515430 0.84 DRD2 (0.46) ADRA1DADRA1AADRA1BDRD2
SCHEMBL5509417 0.84 DRD2 (0.45) ADRA1DADRA1AADRA1BDRD2
SCHEMBL5511457 0.83 DRD2 (0.46) ADRA1DADRA1AADRA1BDRD2
SCHEMBL5517533 0.82 DRD2 (0.71) ADRA1DADRA1AADRA1BSLC6A2SLC6A3
SCHEMBL4770372 0.80 DRD2 (0.47) ADRA1DADRA1AADRA1BDRD2

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 ADRA1D 45/4885ADRA1A 54/4885ADRA1B 61/4885
US-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R ADRA1D 45/4885ADRA1A 54/4885ADRA1B 61/4885
US-20060041139-A9 SUBSTITUTED ALKYL AMIDO PIPERIDINES MCHR1, MCHR2, MC1R ADRA1D 45/4885ADRA1A 54/4885ADRA1B 61/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R ADRA1D 45/4885ADRA1A 54/4885ADRA1B 61/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R ADRA1D 45/4885ADRA1A 54/4885ADRA1B 61/4885

“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.