SCHEMBL2319009

SCHEMBL2319009

CC(=O)N1CCC(CC(=O)Nc2ccc(-c3cc(Cl)cc(Cl)c3)c(C)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
DEGS1 O15121 2/20 0.42
WNT3A P56704 3/20 0.39
SHMT1 P34896 1/20 0.39
CHRM3 P20309 4/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
NR3C1 P04150 1/20 0.37
ABL1 P00519 1/20 0.37
PTGER1 P34995 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2319563 0.88 ABL1 (0.43) HDAC1HDAC2DEGS1WNT3ACHRM3
SCHEMBL2317904 0.82 DEGS1 (0.53) HDAC1HDAC2DEGS1WNT3AABL1
SCHEMBL2320166 0.80 RAB9A (0.48) HDAC1HDAC2DEGS1ALDH1A1
SCHEMBL2317319 0.78 DEGS1 (0.45) HDAC1HDAC2DEGS1WNT3AALDH1A1
SCHEMBL2319777 0.73 USP30 (0.47) HDAC1HDAC2DEGS1
SCHEMBL2318673 0.72 HDAC1 (0.45) HDAC1HDAC2
SCHEMBL12283692 0.72 USP30 (0.55) HDAC1HDAC2DEGS1WNT3AABL1
SCHEMBL2315755 0.71 USP30 (0.52) HDAC1HDAC2DEGS1WNT3AABL1
SCHEMBL2317561 0.71 MAPK8 (0.53) HDAC1HDAC2WNT3A
SCHEMBL2323355 0.71 FFAR4 (0.46) HDAC1HDAC2DEGS1WNT3AABL1

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 1893/4885DEGS1 3961/4885

“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.