SCHEMBL2319121

SCHEMBL2319121

CC(=O)N1CCC(CC(=O)Nc2cnc(-c3cc(F)cc(F)c3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.48
DEGS1 O15121 2/20 0.45
TBK1 Q9UHD2 1/20 0.43
ABL1 P00519 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
WNT3A P56704 8/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.39
MAPK14 Q16539 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
SCHEMBL2317319 0.88 DEGS1 (0.45) NPY5RDEGS1TBK1HDAC1HDAC2
SCHEMBL2418638 0.86 DEGS1 (0.43) NPY5RDEGS1TBK1ABL1HDAC1
SCHEMBL2320672 0.85 WNT3A (0.53) NPY5RDEGS1ABL1HDAC1HDAC2
SCHEMBL2423074 0.84 WNT3A (0.46) DEGS1HDAC1HDAC2WNT3AMAP4K4
SCHEMBL2323322 0.84 DEGS1 (0.47) NPY5RDEGS1TBK1ABL1HDAC1
SCHEMBL13362250 0.83 NPY5R (0.46) NPY5RDEGS1TBK1HDAC1HDAC2
SCHEMBL2323355 0.82 FFAR4 (0.46) DEGS1ABL1HDAC1HDAC2WNT3A
SCHEMBL2317072 0.82 MAPK8 (0.52) DEGS1TBK1ABL1HDAC1HDAC2
SCHEMBL2319777 0.82 USP30 (0.47) NPY5RDEGS1TBK1HDAC1HDAC2
SCHEMBL2322351 0.82 HDAC1 (0.46) NPY5RDEGS1ABL1HDAC1HDAC2

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 NPY5R 1/4885DEGS1 3961/4885TBK1 3811/4885

“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.