SCHEMBL3561081

SCHEMBL3561081

c1ccc(-c2nsc(N3CC[N]CC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FAAH O00519 18/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CNR2 P34972 1/20 0.48

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
SCHEMBL3086259 0.94 FAAH (0.52) FAAHNPC1RAB9ACNR2
SCHEMBL13003027 0.83 NPC1 (0.60) FAAHNPC1RAB9A
SCHEMBL532234 0.83 FAAH (0.55) FAAHNPC1RAB9A
SCHEMBL3763277 0.79 FAAH (0.73) FAAHNPC1RAB9A
SCHEMBL8170423 0.78 FAAH (0.61) FAAHNPC1RAB9ACNR2
SCHEMBL2007027 0.78 FAAH (0.51) FAAHNPC1RAB9ACNR2
SCHEMBL3761142 0.77 CNR2 (0.59) FAAHNPC1RAB9ACNR2
SCHEMBL12244696 0.76 HRH3 (0.60) FAAHNPC1RAB9ACNR2
SCHEMBL12244801 0.74 HRH3 (0.57) FAAHNPC1RAB9ACNR2
SCHEMBL608895 0.74 FAAH (0.50) FAAHNPC1RAB9ACNR2

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 FAAH 3891/4885NPC1 4193/4885RAB9A 2823/4885

“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.