SCHEMBL403484

SCHEMBL403484

CCOC(=O)C1CCC(N2CCCNC2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.43
NPY5R Q15761 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 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
SCHEMBL379487 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTTSHRHTT
SCHEMBL12568160 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTTSHRKDM4E
SCHEMBL22528397 0.79 KMT2A (0.38) ALDH1A1SMN1; SMN2NPY5RPOLBKMT2A
SCHEMBL3627847 0.78 NPY5R (0.46) SMN1; SMN2NPY5RTSHRKDM4EPOLB
SCHEMBL402931 0.78 NPY5R (0.46) SMN1; SMN2NPY5RTSHRKDM4EPOLB
SCHEMBL3620191 0.78 NPY5R (0.46) SMN1; SMN2NPY5RTSHRKDM4EPOLB
SCHEMBL2130275 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTTSHRKDM4E
SCHEMBL5827421 0.77 CDA (0.44) ALDH1A1SMN1; SMN2NPY5RKDM4E
SCHEMBL3882849 0.73 MEN1 (0.55) ALDH1A1SMN1; SMN2MAPTKDM4EPOLB
SCHEMBL8340922 0.73 ADORA2A (0.39) SMN1; SMN2NPY5R

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP disclosed
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP disclosed
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBRCK A/S (DK) 2012-04-26 US disclosed
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBRCK A/S (DK) 2012-04-26 US disclosed
EP-2408767-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. Lundbeck A/S (DK) 2012-01-25 EP disclosed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 WO disclosed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 WO 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 (1 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-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS NPY5R, NPY1R, NPY2R ALDH1A1 4710/4885SMN1; SMN2 3161/4885MAPT 268/4885

“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.