SCHEMBL3553370

SCHEMBL3553370

C1CC(CN2CCOCC2)CC[N]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CHRM5 P08912 1/20 0.40
ADRA2C P18825 1/20 0.40
THRB P10828 3/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
ACHE P22303 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP2 O75604 1/20 0.34
GBA1 P04062 1/20 0.34
PRKDC P78527 1/20 0.33

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
SCHEMBL7562139 0.84 CHRM5 (0.48) ALDH1A1CHRM5ADRA2CTHRBGAA
SCHEMBL14535216 0.84 CHRM5 (0.48) ALDH1A1CHRM5ADRA2CTHRBGAA
SCHEMBL2249609 0.80 CHRM5 (0.62) CHRM5ADRA2CTHRBGAAHRH3
SCHEMBL18999837 0.80 CHRM5 (0.56) ALDH1A1CHRM5ADRA2CTHRBGAA
SCHEMBL2254261 0.80 CHRM5 (0.56) CHRM5ADRA2CTHRBACHEJAK2
SCHEMBL1515108 0.80 CHRM5 (0.62) ALDH1A1CHRM5ADRA2CTHRBGAA
SCHEMBL10351211 0.78 CHRM5 (0.67) ALDH1A1CHRM5ADRA2CGAAHRH3
SCHEMBL41997 0.78 CHRM5 (0.67) CHRM5ADRA2CTHRBHRH3ACHE
SCHEMBL3554561 0.77 ALDH1A1 (0.40) ALDH1A1CHRM5ADRA2CTHRBGAA
SCHEMBL21450694 0.75 THRB (0.41) ALDH1A1CHRM5ADRA2CTHRBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110812-B1 ANTI-AMYLOID COMPOUNDS CONTAINING BENZOFURAZAN TREVENTIS CORP (US) 2019-04-10 EP claimed
US-9938249-B2 Anti-amyloid compounds containing benzofurazan TREVENTIS CORPORATION (US) 2018-04-10 US claimed
EP-3110812-B1 ANTI-AMYLOID COMPOUNDS CONTAINING BENZOFURAZAN TREVENTIS CORP (US) 2019-04-10 EP disclosed
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-2008090379-A1 PYRAZOLOQUINAZOLINONES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-07-31 WO 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
US-7112594-B2 Fused bicyclic amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-26 US disclosed
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
US-20030203909-A1 Fused bicyclic amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-10-30 US disclosed
EP-1310488-A1 FUSED BICYCLIC AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-14 EP disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP 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 (2 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-20030203909-A1 Fused bicyclic amide compounds and medicinal use thereof BET1, NFATC1, ARG1 ALDH1A1 902/4885CHRM5 3265/4885ADRA2C 2933/4885
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 ALDH1A1 139/4885CHRM5 4868/4885ADRA2C 2671/4885

“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.