SCHEMBL2315449

SCHEMBL2315449

O=C(O)C[C@H]1CCN2C(=O)OC[C@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADCY5 O95622 1/20 0.34
DPP4 P27487 1/20 0.34
LTA4H P09960 3/20 0.33
SLC6A1 P30531 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
SLC6A12 P48065 2/20 0.31
SLC6A11 P48066 2/20 0.31
SLC6A13 Q9NSD5 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRA4 P48169 1/20 0.31
HTT P42858 1/20 0.31
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL2317109 1.00 ALDH1A1 (0.34) ALDH1A1POLBMAPTTDP1ADCY5
SCHEMBL13652362 0.77 PDE4B (0.31) PDE4BPDE4D
SCHEMBL12283890 0.75 ALDH1A1 (0.39) ALDH1A1POLBMAPTTDP1ADCY5
SCHEMBL2319362 0.75 ALDH1A1 (0.39) ALDH1A1POLBMAPTTDP1ADCY5
SCHEMBL17872278 0.74 DGAT1 (0.41) ADCY5LTA4HFFAR1FFAR4
SCHEMBL17872281 0.74 DGAT1 (0.41) ADCY5LTA4HFFAR1FFAR4
SCHEMBL24603329 0.74 LMNA (0.38) DPP4PDE4BPDE4D
SCHEMBL23535631 0.74 LMNA (0.38) DPP4PDE4BPDE4D
SCHEMBL24603294 0.71 PDE4B (0.31) PDE4BPDE4D
SCHEMBL31715262 0.70 PDE4B (0.33) PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
EP-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 WO disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 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-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R ALDH1A1 3024/4885POLB 4553/4885MAPT 2111/4885

“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.