SCHEMBL9720746

SCHEMBL9720746

C[C@@H](CN1CC(=O)N(C)C(=O)C1)N1CC(=O)N(C)C(=O)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.56
LMNA P02545 2/20 0.56
TOP2A P11388 1/20 0.56
TOP2B Q02880 1/20 0.56
PIK3CD O00329 1/20 0.43
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
APEX1 P27695 1/20 0.32
THPO P40225 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9720744 1.00 PTGS1 (0.56) PTGS1LMNATOP2ATOP2BPIK3CD
SCHEMBL9720830 1.00 PTGS1 (0.56) PTGS1LMNATOP2ATOP2BPIK3CD
SCHEMBL14021775 0.89 PTGS1 (0.50) PTGS1LMNATOP2ATOP2BPIK3CD
SCHEMBL14006928 0.88 TOP2A (0.77) PTGS1LMNATOP2ATOP2BPIK3CD
SCHEMBL11929245 0.88 TOP2A (0.77) PTGS1LMNATOP2ATOP2BPIK3CD
SCHEMBL17471506 0.88 TOP2A (0.77) PTGS1LMNATOP2ATOP2BPIK3CD
SCHEMBL14006924 0.88 TOP2A (0.77) PTGS1LMNATOP2ATOP2BPIK3CD
SCHEMBL9720750 0.77 PIK3CD (0.37) PTGS1LMNATOP2ATOP2BPIK3CD
SCHEMBL10622995 0.77 PTGS1 (0.45) PTGS1LMNATOP2ATOP2BPIK3CD
SCHEMBL11092444 0.75 PTGS1 (0.47) PTGS1LMNATOP2ATOP2BPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008134630-A1 DEXRAZOXANE COMPOUNDS FOR CARDIOPROTECTION APT PHARMACEUTICALS (US) 2008-11-06 WO disclosed
US-20080275036-A1 Prevention and treatment of cardiac conditions APT PHARMACEUTICALS, INC. (US) 2008-11-06 US disclosed
US-20080275036-A1 Prevention and treatment of cardiac conditions APT PHARMACEUTICALS, INC. (US) 2008-11-06 US disclosed
WO-2007053415-A2 AGENTS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2007-05-10 WO disclosed
WO-1992000740-A2 BIS-DIOXOPIPERAZINES AND THEIR USE AS PROTECTION AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-01-23 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-20080275036-A1 Prevention and treatment of cardiac conditions TNNT2, TNNI3, TNNC1 PTGS1 342/4885LMNA 638/4885TOP2A 1849/4885

“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.