SCHEMBL2318873

SCHEMBL2318873

CC(=O)N1CCC(CC(=O)Nc2ncc(Br)c(C)c2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GSK3B P49841 1/20 0.37
GPR183 P32249 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GSK3A P49840 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
CXCR3 P49682 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
DEGS1 O15121 2/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL2319218 0.83 FNTA (0.42) RAB9ANPC1GAASMN1; SMN2HDAC1
SCHEMBL2320555 0.80 HDAC1 (0.40) RAB9ANPC1GAASMN1; SMN2HDAC1
SCHEMBL2315751 0.78 HDAC1 (0.45) RAB9ANPC1GAASMN1; SMN2HDAC1
SCHEMBL2317080 0.76 RAB9A (0.56) RAB9ANPC1GAASMN1; SMN2KMT2A
SCHEMBL2320718 0.76 DEGS1 (0.43) RAB9ANPC1GAASMN1; SMN2HDAC1
SCHEMBL2320166 0.74 RAB9A (0.48) RAB9ANPC1SMN1; SMN2HDAC1HDAC2
SCHEMBL2319592 0.74 KCNQ3 (0.42) HDAC1HDAC2HDAC8HDAC6DEGS1
SCHEMBL2317845 0.74 KMT2A (0.67) RAB9ANPC1HDAC1HDAC2KMT2A
SCHEMBL6361072 0.72 NPSR1 (0.40) RAB9ANPC1GAASMN1; SMN2KMT2A
SCHEMBL2318039 0.72 MAPK8 (0.47) RAB9ANPC1SMN1; SMN2HDAC1HDAC2

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
CN-102272120-B Biologically active amides LUNDBECK & CO AS H 2013-12-25 CN disclosed
CN-102272120-A Biologically active amides 2011-12-07 CN 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 RAB9A 3184/4885NPC1 1717/4885GAA 435/4885

“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.