SCHEMBL2315751

SCHEMBL2315751

CC(=O)N1CCC(CC(=O)Nc2ncc(Br)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
GPR183 P32249 1/20 0.43
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
KMT2A Q03164 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 2/20 0.39

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
SCHEMBL2317080 0.85 RAB9A (0.56) KMT2ANPC1RAB9ASMN1; SMN2GAA
SCHEMBL2320308 0.82 HDAC1 (0.46) HDAC1HDAC2NPC1RAB9AJAK2
SCHEMBL2319218 0.82 FNTA (0.42) HDAC1HDAC2GPR183KMT2ANPC1
SCHEMBL2322351 0.81 HDAC1 (0.46) HDAC1HDAC2DEGS1
SCHEMBL2317845 0.80 KMT2A (0.67) HDAC1HDAC2GPR183KMT2ANPC1
SCHEMBL2320718 0.80 DEGS1 (0.43) HDAC1HDAC2GPR183KMT2ANPC1
SCHEMBL2318873 0.78 RAB9A (0.42) HDAC1HDAC2GPR183KMT2ANPC1
SCHEMBL2318039 0.78 MAPK8 (0.47) HDAC1HDAC2GPR183KMT2ANPC1
SCHEMBL2318673 0.74 HDAC1 (0.45) HDAC1HDAC2GPR183KMT2ANPC1
SCHEMBL2320166 0.73 RAB9A (0.48) HDAC1HDAC2KMT2ANPC1RAB9A

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 HDAC1 1924/4885HDAC2 1893/4885GPR183 162/4885

“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.