SCHEMBL3551319

SCHEMBL3551319

c1ccc2nc(N3CC[N]CC3)ncc2c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.69
HRH4 Q9H3N8 1/20 0.69
HCRTR1 O43613 4/20 0.50
HCRTR2 O43614 4/20 0.50
HCAR2 Q8TDS4 1/20 0.48
OGA O60502 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PDE10A Q9Y233 9/20 0.43
CYP1A2 P05177 1/20 0.41

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
SCHEMBL30824484 0.86 HTR3A (0.73) HTR3AHRH4HCRTR1HCRTR2HCAR2
SCHEMBL29648042 0.86 HTR3A (0.73) HTR3AHRH4HCRTR1HCRTR2HCAR2
SCHEMBL5508534 0.86 HTR3A (0.73) HTR3AHRH4HCRTR1HCRTR2HCAR2
SCHEMBL31691646 0.84 HTR3A (0.71) HTR3AHRH4HCRTR1HCRTR2HCAR2
SCHEMBL3776403 0.84 HTR3A (0.71) HTR3AHRH4HCRTR1HCRTR2HCAR2
SCHEMBL603314 0.81 HTR3A (1.00) HTR3AHRH4HCRTR1HCRTR2HCAR2
SCHEMBL2420211 0.81 HTR3A (0.67) HTR3AHRH4HCRTR1HCRTR2HCAR2
SCHEMBL1029333 0.81 HTR3A (0.67) HTR3AHRH4HCRTR1HCRTR2HCAR2
SCHEMBL29460463 0.81 HTR3A (0.67) HTR3AHRH4HCRTR1HCRTR2HCAR2
SCHEMBL27896727 0.81 HTR3A (0.71) HTR3AHRH4HCRTR1HCRTR2HCAR2

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 2 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

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 HTR3A 2321/4885HRH4 3811/4885HCRTR1 2429/4885

“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.