SCHEMBL2320539

SCHEMBL2320539

CC(=O)N1CCC(CC(=O)Nc2cc(-c3cc(F)cc(F)c3)ccn2)C[C@H]1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.45
GSK3B P49841 3/20 0.45
MAPK10 P53779 8/20 0.44
MAPK8 P45983 7/20 0.44
USP30 Q70CQ3 1/20 0.43
PIK3C3 Q8NEB9 2/20 0.41
CDK9 P50750 4/20 0.41
CDK1 P06493 3/20 0.41
CDK2 P24941 3/20 0.41
CDK3 Q00526 3/20 0.41
CDK5 Q00535 3/20 0.41
CCNT1 O60563 3/20 0.41
GSK3A P49840 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNE1 P24864 2/20 0.41
CCNA1 P78396 2/20 0.41
CDK5R1 Q15078 2/20 0.41
DEGS1 O15121 1/20 0.39
WNT3A P56704 1/20 0.39
MAP4K4 O95819 1/20 0.38

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
SCHEMBL2320536 1.00 MAPK14 (0.45) MAPK14GSK3BMAPK10MAPK8USP30
SCHEMBL2317072 0.86 MAPK8 (0.52) MAPK14GSK3BMAPK10MAPK8USP30
SCHEMBL12284201 0.80 WNT3A (0.44) MAPK14GSK3BMAPK10MAPK8WNT3A
SCHEMBL2317600 0.73 MAPK10 (0.62) MAPK14MAPK10MAPK8USP30WNT3A
SCHEMBL2320294 0.73 WNT3A (0.49) MAPK14GSK3BMAPK10MAPK8WNT3A
SCHEMBL2320672 0.73 WNT3A (0.53) USP30DEGS1WNT3AABL1
SCHEMBL2317561 0.72 MAPK8 (0.53) MAPK14GSK3BMAPK10MAPK8USP30
SCHEMBL2322351 0.69 HDAC1 (0.46) CDK2CCNE1DEGS1WNT3AMAP4K4
SCHEMBL2319121 0.69 NPY5R (0.48) MAPK14GSK3BCDK2CCNE1DEGS1
SCHEMBL2322128 0.69 NPY5R (0.47) GSK3BDEGS1WNT3A

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 MAPK14 3840/4885GSK3B 2646/4885MAPK10 3482/4885

“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.