SCHEMBL2320166

SCHEMBL2320166

CC(=O)N1CCC(CC(=O)Nc2ccc(Br)c(C)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.48
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 7/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
DEGS1 O15121 2/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP1A2 P05177 1/20 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
SCHEMBL2318673 0.82 HDAC1 (0.45) RAB9AKMT2ANPC1MAPK1HDAC1
SCHEMBL2317080 0.81 RAB9A (0.56) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL2319563 0.80 ABL1 (0.43) HDAC1HDAC2DEGS1
SCHEMBL2319009 0.80 HDAC1 (0.42) ALDH1A1HDAC1HDAC2DEGS1
SCHEMBL2318039 0.77 MAPK8 (0.47) RAB9AKMT2AMEN1NPC1HDAC1
SCHEMBL2317845 0.76 KMT2A (0.67) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL2320718 0.76 DEGS1 (0.43) RAB9AKMT2ANPC1ALDH1A1HDAC1
SCHEMBL12283692 0.75 USP30 (0.55) KMT2AMEN1HDAC1HDAC2DEGS1
SCHEMBL2318873 0.74 RAB9A (0.42) RAB9AKMT2AMEN1NPC1HDAC1
SCHEMBL2315751 0.73 HDAC1 (0.45) RAB9AKMT2AMEN1NPC1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3184/4885KMT2A 3489/4885MEN1 2360/4885

“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.