SCHEMBL2315657

SCHEMBL2315657

O=C(CN1CCN2C(=O)CC=C2C1)Nc1ccc(-c2cc(F)cc(F)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.47
GSK3B P49841 3/20 0.44
DYRK1A Q13627 3/20 0.44
DEGS1 O15121 1/20 0.43
ABCB1 P08183 2/20 0.41
WNT3A P56704 1/20 0.41
ABCC1 P33527 1/20 0.40
POLB P06746 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
SCHEMBL2317367 0.88 GSK3B (0.41) NPY5RGSK3BDYRK1ADEGS1
SCHEMBL2359910 0.83 MAP4K4 (0.40) GSK3BDYRK1ADEGS1POLB
SCHEMBL2318025 0.81 TSHR (0.58) DEGS1POLB
SCHEMBL2316827 0.77 WNT3A (0.58) NPY5RGSK3BDYRK1ADEGS1ABCB1
SCHEMBL2322316 0.76 RIOK2 (0.41) GSK3BDYRK1APOLB
SCHEMBL2315654 0.75 NPY5R (0.61) NPY5RGSK3BDYRK1ADEGS1
SCHEMBL2359496 0.74 WNT3A (0.54) NPY5RGSK3BDYRK1ADEGS1WNT3A
SCHEMBL2415738 0.72 NPY5R (0.47) NPY5RGSK3BDYRK1ADEGS1ABCB1
SCHEMBL2322128 0.72 NPY5R (0.47) NPY5RGSK3BDYRK1ADEGS1ABCB1
SCHEMBL2320233 0.72 NPY5R (0.47) NPY5RGSK3BDYRK1ADEGS1ABCB1

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 3 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
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

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 1/4885GSK3B 2646/4885DYRK1A 1159/4885

“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.