SCHEMBL3283683

SCHEMBL3283683

Cc1ccc(NCCCN2CC3CN(S(=O)(=O)c4cccnc4C)CC3C2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR7 P34969 3/20 0.39
MALT1 Q9UDY8 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR6 P50406 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FKBP1A P62942 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MITF O75030 1/20 0.37
HTT P42858 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
SCHEMBL4753970 0.89 TP53 (0.45) MAPTTP53MEN1KMT2AHTR7
SCHEMBL4690545 0.83 KDM4E (0.41) MAPTTP53MALT1ALDH1A1KDM4E
SCHEMBL3283676 0.83 TP53 (0.53) MAPTTP53MEN1KMT2AMALT1
SCHEMBL3283552 0.82 CCR1 (0.42) MAPTTP53ALDH1A1SMN1; SMN2GAA
SCHEMBL4692449 0.81 ALDH1A1 (0.46) MAPTALDH1A1GAAFKBP1AHTT
SCHEMBL4690883 0.81 NR1H4 (0.41) MAPTTP53KMT2AALDH1A1KDM4E
SCHEMBL4693917 0.81 PTGS1 (0.37) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL4694306 0.81 FPR2 (0.56)
SCHEMBL4696048 0.81 FPR2 (0.48) MAPTGAAHTR6
SCHEMBL4693294 0.80 PDE10A (0.42) MAPTTP53MALT1ALDH1A1KDM4E

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 9 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
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 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
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 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-20060014767-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 MAPT 3850/4885TP53 4359/4885MEN1 4674/4885

“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.