SCHEMBL3559523

SCHEMBL3559523

O=C(O)C(N1CCCCCC1)N1CCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.48
GAA P10253 1/20 0.45
FDPS P14324 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 4/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
KCNA5 P22460 2/20 0.34
KCNH2 Q12809 2/20 0.34

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
SCHEMBL11687527 1.00 DPP7 (0.48) DPP7GAAFDPSLMNAALDH1A1
SCHEMBL29132524 0.87 CA2 (0.47) DPP7GAAFDPSLMNAKMT2A
SCHEMBL11762915 0.87 GAA (0.42) DPP7GAAFDPSLMNAALDH1A1
SCHEMBL5605486 0.84 CA2 (0.43) DPP7GAALMNAKMT2AMEN1
SCHEMBL26986914 0.78 DPP7 (0.48) DPP7GAAFDPSLMNAALDH1A1
SCHEMBL3969170 0.78 DPP7 (0.48) DPP7GAAFDPSLMNAALDH1A1
SCHEMBL15415243 0.76 DPP7 (0.47) DPP7GAAFDPSLMNAALDH1A1
SCHEMBL4783310 0.76 DPP7 (0.42) DPP7GAAFDPSLMNAALDH1A1
SCHEMBL6243407 0.76 DPP7 (0.42) DPP7GAAFDPSLMNAALDH1A1
Ammonia Solution, Strong SCHEMBL10713045 0.76 DPP7 (0.47) DPP7GAAFDPSLMNAALDH1A1

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
US-7834015-B2 treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, neurodegenerative diseases, retroviral infections, retinal damage, skin senescence and UV skin damage, and as chemosensitizers or radiosensitizers for cancer treatment INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-11-16 US disclosed
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-08-20 US disclosed
EP-2032140-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-03-11 EP disclosed
WO-2007138355-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 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-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) PARP1, PARP2, PARP11 DPP7 652/4885GAA 1525/4885FDPS 3172/4885

“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.