SCHEMBL3552981

SCHEMBL3552981

CCOC(=O)C1CCCN(C2CC[N]CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 10/20 0.52
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.48
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL12881570 0.84 ALDH1A1 (0.61) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL3552997 0.84 MAPT (0.53) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL5175264 0.83 MEN1 (0.55) MEN1KMT2AALDH1A1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL6183891 0.82 MEN1 (0.54) MEN1KMT2AALDH1A1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL6183804 0.82 MEN1 (0.54) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL11490414 0.81 ALDH1A1 (0.55) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL372350 0.81 ALDH1A1 (0.55) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL17894146 0.78 MEN1 (0.50) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL6640195 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL6183815 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1POLBSMN1; SMN2

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 MEN1 3999/4885KMT2A 2987/4885ALDH1A1 139/4885

“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.