SCHEMBL10142189

SCHEMBL10142189

CC(C)NC(C)C(=O)OCC1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
PSMB5 P28074 1/20 0.34
PIK3CD O00329 1/20 0.34
LMNA P02545 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
AOC3 Q16853 1/20 0.32
SCN9A Q15858 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CTSD P07339 1/20 0.31
METAP2 P50579 1/20 0.31
HSD11B1 P28845 1/20 0.31
NAAA Q02083 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31

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
SCHEMBL19088597 0.86 ACACB (0.37) ACACBHDAC3HDAC1HDAC2PSMB5
SCHEMBL4765133 0.85 ACACB (0.40) ACACBHDAC3HDAC1HDAC2PSMB5
SCHEMBL15998174 0.84 ACACB (0.39) ACACBHDAC3HDAC1HDAC2PSMB5
SCHEMBL22644001 0.82 ACACB (0.35) ACACBHDAC3HDAC1HDAC2PSMB5
SCHEMBL13811588 0.81 ACACB (0.40) ACACBHDAC3HDAC1HDAC2PSMB5
SCHEMBL21578753 0.79 HDAC1 (0.38) HDAC3HDAC1HDAC2
SCHEMBL25885731 0.78 ACACB (0.39) ACACBHDAC3HDAC1HDAC2PIK3CD
SCHEMBL10186030 0.78 ACACB (0.39) ACACBHDAC3HDAC1HDAC2PIK3CD
SCHEMBL17014822 0.77 L3MBTL1 (0.38) ACACBPIK3CDALDH1A1
Hydrochloric Acid SCHEMBL19581807 0.74 ACACB (0.37) ACACBHDAC3HDAC1HDAC2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190350960-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-11-21 US disclosed
US-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-02-02 US 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 (2 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-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 ACACB 4365/4885HDAC3 1406/4885HDAC1 1202/4885
US-20190350960-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NME4, NUDT15 ACACB 2059/4885HDAC3 724/4885HDAC1 602/4885

“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.