SCHEMBL2322351

SCHEMBL2322351

CC(=O)N1CCC(CC(=O)Nc2ncc(-c3cc(F)cc(F)c3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
NPY5R Q15761 5/20 0.45
DEGS1 O15121 1/20 0.41
HDAC3 O15379 2/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
WNT3A P56704 1/20 0.38
EPHX2 P34913 2/20 0.38
GRIN2B Q13224 2/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
GRIN1 Q05586 1/20 0.37

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
SCHEMBL2320308 0.88 HDAC1 (0.46) HDAC1HDAC2ABL1HDAC8HDAC6
SCHEMBL2320672 0.86 WNT3A (0.53) HDAC1HDAC2NPY5RDEGS1ABL1
SCHEMBL2319592 0.85 KCNQ3 (0.42) HDAC1HDAC2NPY5RDEGS1HDAC3
SCHEMBL2317072 0.83 MAPK8 (0.52) HDAC1HDAC2DEGS1HDAC3MAP4K4
SCHEMBL2317393 0.82 HDAC1 (0.49) HDAC1HDAC2NPY5RHDAC3MAP4K4
SCHEMBL2319121 0.82 NPY5R (0.48) HDAC1HDAC2NPY5RDEGS1MAP4K4
SCHEMBL2315751 0.81 HDAC1 (0.45) HDAC1HDAC2DEGS1
SCHEMBL2423074 0.81 WNT3A (0.46) HDAC1HDAC2DEGS1HDAC3MAP4K4
SCHEMBL2320555 0.80 HDAC1 (0.40) HDAC1HDAC2DEGS1HDAC3MAP4K4
SCHEMBL14332661 0.80 NPY5R (0.56) NPY5RMAP4K4

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 HDAC1 1924/4885HDAC2 1893/4885NPY5R 1/4885

“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.