SCHEMBL2359904

SCHEMBL2359904

O=C(CN1CCN2C(=O)CCC2C1)Nc1cccc(-c2cc(F)cc(F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.42
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
SCN9A Q15858 1/20 0.38
TRPA1 O75762 3/20 0.38
FFAR4 Q5NUL3 1/20 0.37
HTR1F P30939 1/20 0.37
MAP4K4 O95819 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PORCN Q9H237 1/20 0.36

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
SCHEMBL2315654 0.83 NPY5R (0.61) NPY5R
SCHEMBL2317358 0.83 NPY5R (0.49) NPY5R
SCHEMBL2317308 0.82 DYRK1A (0.42) PDCD1LG2CD274
SCHEMBL2359910 0.76 MAP4K4 (0.40) SCN9ATRPA1MAP4K4
SCHEMBL2322306 0.73 GSK3B (0.42)
SCHEMBL2318020 0.73 TSHR (0.56)
SCHEMBL2323355 0.69 FFAR4 (0.46) SCN9AFFAR4MAP4K4
SCHEMBL13362183 0.68 NPY5R (0.60) NPY5R
SCHEMBL12284422 0.68 NPY5R (0.60) NPY5R
SCHEMBL12283674 0.64 NPY5R (0.49) NPY5R

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 NPY5R 1/4885PDCD1LG2 4056/4885CD274 2999/4885

“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.