SCHEMBL5515430

SCHEMBL5515430

CC(C)C(=O)Nc1cccc(C2CCN(CCCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.46
DRD3 P35462 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
MCHR1 Q99705 1/20 0.42
OPRL1 P41146 1/20 0.41
DRD4 P21917 4/20 0.41
HTR1A P08908 3/20 0.41
KCNH2 Q12809 2/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL5511457 0.99 DRD2 (0.46) DRD2DRD3SIGMAR1MCHR1OPRL1
SCHEMBL5509417 0.98 DRD2 (0.45) DRD2DRD3SIGMAR1MCHR1DRD4
SCHEMBL5515034 0.97 DRD2 (0.45) DRD2DRD3MCHR1DRD4HTR1A
SCHEMBL5509918 0.92 KCNH2 (0.46) DRD2MCHR1OPRL1DRD4HTR1A
SCHEMBL5517092 0.92 KCNH2 (0.47) DRD2MCHR1OPRL1DRD4HTR1A
SCHEMBL5515023 0.84 ADRA1D (0.49) DRD2MCHR1DRD4ADRA1DADRA1A
SCHEMBL5522239 0.84 ADRA1D (0.58) DRD2ADRA1DADRA1AADRA1B
SCHEMBL5511369 0.83 DRD2 (0.65) DRD2MCHR1ADRA1A
SCHEMBL5507984 0.83 DRD2 (0.64) DRD2MCHR1
SCHEMBL5507945 0.82 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 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 DRD2 74/4885DRD3 103/4885SIGMAR1 109/4885
US-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R DRD2 74/4885DRD3 103/4885SIGMAR1 109/4885
US-20060041139-A9 SUBSTITUTED ALKYL AMIDO PIPERIDINES MCHR1, MCHR2, MC1R DRD2 74/4885DRD3 103/4885SIGMAR1 109/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R DRD2 74/4885DRD3 103/4885SIGMAR1 109/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R DRD2 74/4885DRD3 103/4885SIGMAR1 109/4885

“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.