SCHEMBL3286278

SCHEMBL3286278

CCCC(=O)N1CC(C(=O)O)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.58
CHRNA3 P32297 3/20 0.58
CHRNA4 P43681 3/20 0.58
CHRNB3 Q05901 2/20 0.58
CHRNA6 Q15825 2/20 0.58
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 3/20 0.39
MAPT P10636 1/20 0.39
S1PR5 Q9H228 4/20 0.38
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 2/20 0.37
S1PR4 O95977 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA7 P36544 1/20 0.37
FFAR3 O14843 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL27758288 0.86 L3MBTL1 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27429187 0.83 CHRNB2 (0.58) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3287083 0.83 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL5221546 0.80 POLB (0.57) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL9340411 0.80 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24208230 0.78 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19154137 0.78 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL11892714 0.78 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10274490 0.78 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4967523 0.78 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed
US-7714018-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
US-20070117859-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-05-24 US disclosed
US-7164019-B2 Such as cyclopentanecarboxylic acid {(S)-1-phenyl-3-[5-(pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-amide; antagonists of chemokine receptors, useful for treating/preventing human immunodeficiency virus infection, AIDS or ARC ROCHE PALO ALTO LLC (US) 2007-01-16 US disclosed
US-20060014767-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-01-19 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 (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-20060014767-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 CHRNB2 2902/4885CHRNA3 1232/4885CHRNA4 2114/4885
US-20070117859-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 CHRNB2 2902/4885CHRNA3 1232/4885CHRNA4 2114/4885

“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.