SCHEMBL5513360

SCHEMBL5513360

O=C(CC(c1ccccc1)c1ccccc1)NCCCN1CCC(c2cccc(NC(=O)C3CC3)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.53
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD2 P14416 1/20 0.48

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
SCHEMBL5888068 0.88 ADRA1D (0.64) MCHR1ADRA1DADRA1AADRA1B
SCHEMBL5522194 0.83 MCHR1 (0.54) MCHR1DRD2
SCHEMBL5658430 0.82 MCHR1 (0.50) MCHR1DRD2
SCHEMBL5508170 0.81 MCHR1 (0.53) MCHR1
SCHEMBL5511233 0.80 ADRA1D (0.72) ADRA1DADRA1AADRA1B
SCHEMBL5511193 0.80 MCHR1 (0.60) MCHR1ADRA1DADRA1AADRA1B
SCHEMBL5513966 0.80 ADRA1D (0.58) MCHR1ADRA1DADRA1AADRA1BDRD2
SCHEMBL5512426 0.80 MCHR1 (0.51) MCHR1
SCHEMBL4765066 0.79 MCHR1 (0.55) MCHR1DRD2
SCHEMBL5506752 0.79 DRD2 (0.59) MCHR1DRD2

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 MCHR1 1/4885ADRA1D 45/4885ADRA1A 54/4885
US-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R MCHR1 1/4885ADRA1D 45/4885ADRA1A 54/4885
US-20060041139-A9 SUBSTITUTED ALKYL AMIDO PIPERIDINES MCHR1, MCHR2, MC1R MCHR1 1/4885ADRA1D 45/4885ADRA1A 54/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R MCHR1 1/4885ADRA1D 45/4885ADRA1A 54/4885

“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.