SCHEMBL2800162

SCHEMBL2800162

CCCN(C(=O)OC(C)(C)C)c1cccc(CBr)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.39
F2 P00734 3/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
RIPK1 Q13546 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
NR1H4 Q96RI1 3/20 0.36
GLS O94925 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35

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
SCHEMBL2798823 0.88 MTNR1B (0.40) F2HDAC1HDAC3HDAC2NCOR2
SCHEMBL3909434 0.82 F2 (0.40) F2HDAC1HDAC8HDAC6TP53
SCHEMBL2799679 0.81 F2 (0.38) F2HDAC1HDAC3HDAC2NCOR2
SCHEMBL27572033 0.81 TP53 (0.54) F2HDAC1HDAC3HDAC2NCOR2
SCHEMBL9373336 0.79 CYP3A4 (0.46) F2
SCHEMBL8635430 0.78 AKT1 (0.44) AKT1HDAC1HDAC3HDAC2NCOR2
SCHEMBL4497170 0.77 MTNR1B (0.39) F2HDAC1HDAC3HDAC2NCOR2
SCHEMBL7021352 0.77 GLS (0.53) AKT1RIPK1HTR2CSLC6A4GLS
SCHEMBL5756917 0.76 HDAC3 (0.37) AKT1HDAC1HDAC3HDAC2NCOR2
SCHEMBL2551511 0.75 MLYCD (0.38) F2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168170-A1 Piperidinones Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-07-01 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 (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-20100168170-A1 Piperidinones Useful in the Treatment of Inflammation ARG1, ARG2, PRMT1 AKT1 1972/4885F2 348/4885HDAC1 547/4885

“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.