SCHEMBL3549709

SCHEMBL3549709

C1CCCN(C2CC[N]CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 6/20 0.41
L3MBTL1 Q9Y468 6/20 0.41
MBTD1 Q05BQ5 5/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR6 P50406 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
TP53BP1 Q12888 1/20 0.35
L3MBTL4 Q8NA19 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 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
SCHEMBL3548348 1.00 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL42479 1.00 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL140623 0.97 L3MBTL1 (0.43) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL1489996 0.92 L3MBTL3 (0.38) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL1489616 0.85 L3MBTL3 (0.39) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL1489870 0.85 L3MBTL3 (0.39) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL1489973 0.85 L3MBTL3 (0.39) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL337764 0.85 L3MBTL1 (0.34) L3MBTL3L3MBTL1MBTD1HTR6KDM4E
SCHEMBL667548 0.82 L3MBTL1 (0.40) L3MBTL3L3MBTL1MBTD1HTR6TP53BP1
SCHEMBL477164 0.82 L3MBTL1 (0.40) L3MBTL3L3MBTL1MBTD1HTR6TP53BP1

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 L3MBTL3 3948/4885L3MBTL1 2961/4885MBTD1 4706/4885

“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.