SCHEMBL2323355

SCHEMBL2323355

CC(=O)N1CCC(CC(=O)Nc2cccc(-c3cc(F)cc(F)c3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
SCN9A Q15858 1/20 0.43
MAP4K4 O95819 2/20 0.42
GSK3B P49841 1/20 0.41
MAPK14 Q16539 1/20 0.41
DEGS1 O15121 1/20 0.40
WNT3A P56704 1/20 0.40
HDAC3 O15379 1/20 0.39
ABL1 P00519 1/20 0.39

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
SCHEMBL2319563 0.83 ABL1 (0.43) HDAC1HDAC2GSK3BMAPK14DEGS1
SCHEMBL2319121 0.82 NPY5R (0.48) HDAC1HDAC2MAP4K4GSK3BMAPK14
SCHEMBL2317072 0.81 MAPK8 (0.52) HDAC1HDAC2MAP4K4GSK3BMAPK14
SCHEMBL2320672 0.80 WNT3A (0.53) HDAC1HDAC2DEGS1WNT3AABL1
SCHEMBL2423074 0.80 WNT3A (0.46) HDAC1HDAC2MAP4K4DEGS1WNT3A
SCHEMBL2318673 0.79 HDAC1 (0.45) HDAC1HDAC2
SCHEMBL2317393 0.78 HDAC1 (0.49) HDAC1HDAC2MAP4K4WNT3AHDAC3
SCHEMBL2322351 0.77 HDAC1 (0.46) HDAC1HDAC2MAP4K4DEGS1WNT3A
SCHEMBL2318111 0.76 BRD4 (0.50) HDAC1HDAC2WNT3AHDAC3
SCHEMBL2316027 0.75 WNT3A (0.52) HDAC1HDAC2WNT3A

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 5 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

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 FFAR4 188/4885HDAC1 1924/4885HDAC2 1893/4885

“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.