SCHEMBL2318673

SCHEMBL2318673

CC(=O)N1CCC(CC(=O)Nc2cccc(Br)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK5R1 Q15078 1/20 0.41
NTRK1 P04629 3/20 0.41
NPC1 O15118 3/20 0.40
CFD P00746 3/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GPR183 P32249 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 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
SCHEMBL2320166 0.82 RAB9A (0.48) HDAC1HDAC2NPC1RAB9AMAPK1
SCHEMBL2317080 0.80 RAB9A (0.56) NPC1RAB9AKMT2A
SCHEMBL2320718 0.80 DEGS1 (0.43) HDAC1HDAC2DYRK1ANPC1RAB9A
SCHEMBL2323355 0.79 FFAR4 (0.46) HDAC1HDAC2
SCHEMBL2318039 0.78 MAPK8 (0.47) HDAC1HDAC2CDK5DYRK1ACDK5R1
SCHEMBL2317845 0.77 KMT2A (0.67) HDAC1HDAC2NPC1RAB9ATDP1
SCHEMBL2315751 0.74 HDAC1 (0.45) HDAC1HDAC2NPC1RAB9AGPR183
SCHEMBL2317600 0.74 MAPK10 (0.62) HDAC1HDAC2RAB9ATP53ALOX15
SCHEMBL5141429 0.73 GAA (0.52) NTRK1NPC1CFDRAB9ATDP1
SCHEMBL24151579 0.72 ALDH1A1 (0.46)

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 HDAC1 1924/4885HDAC2 1893/4885CDK5 1000/4885

“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.