SCHEMBL2317072

SCHEMBL2317072

CC(=O)N1CCC(CC(=O)Nc2cc(-c3cc(F)cc(F)c3)ccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.52
MAPK10 P53779 5/20 0.52
MAPK14 Q16539 5/20 0.51
GSK3B P49841 1/20 0.50
USP30 Q70CQ3 1/20 0.46
WNT3A P56704 4/20 0.46
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
DEGS1 O15121 1/20 0.44
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
MAP4K4 O95819 1/20 0.43
HDAC3 O15379 1/20 0.43
ABL1 P00519 1/20 0.43
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42

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
SCHEMBL2317600 0.87 MAPK10 (0.62) MAPK8MAPK10MAPK14USP30WNT3A
SCHEMBL2320672 0.86 WNT3A (0.53) USP30WNT3AHDAC1HDAC2DEGS1
SCHEMBL2317561 0.86 MAPK8 (0.53) MAPK8MAPK10MAPK14GSK3BUSP30
SCHEMBL2320539 0.86 MAPK14 (0.45) MAPK8MAPK10MAPK14GSK3BUSP30
SCHEMBL2320536 0.86 MAPK14 (0.45) MAPK8MAPK10MAPK14GSK3BUSP30
SCHEMBL2320294 0.83 WNT3A (0.49) MAPK8MAPK10MAPK14GSK3BWNT3A
SCHEMBL2322351 0.83 HDAC1 (0.46) WNT3AHDAC1HDAC2DEGS1MAP4K4
SCHEMBL2318039 0.82 MAPK8 (0.47) MAPK8MAPK10MAPK14GSK3BUSP30
SCHEMBL2317393 0.82 HDAC1 (0.49) WNT3AHDAC1HDAC2MAP4K4HDAC3
SCHEMBL2319121 0.82 NPY5R (0.48) MAPK14GSK3BWNT3AHDAC1HDAC2

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 MAPK8 3499/4885MAPK10 3482/4885MAPK14 3840/4885

“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.