SCHEMBL3283676

SCHEMBL3283676

Cc1ccc(NC(=O)CCN2CC3CN(S(=O)(=O)c4cccnc4C)CC3C2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 3/20 0.46
MITF O75030 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MALT1 Q9UDY8 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5662602 0.90 MAPT (0.51) TP53MAPTALDH1A1MITFHTT
SCHEMBL4690539 0.85 TP53 (0.45) TP53MAPTALDH1A1HTTLMNA
Trifluoroacetic Acid SCHEMBL5663179 0.85 KIF18A (0.48) TP53MAPTALDH1A1MITFHTT
SCHEMBL3283683 0.83 MAPT (0.47) TP53MAPTALDH1A1MITFHTT
SCHEMBL4693286 0.83 TP53 (0.45) TP53MAPTALDH1A1LMNAKMT2A
SCHEMBL4689928 0.83 MALT1 (0.47) TP53MAPTALDH1A1LMNAKMT2A
SCHEMBL4692445 0.82 TP53 (0.48) TP53MAPTALDH1A1MITFHTT
SCHEMBL4693912 0.81 PRMT5 (0.43) TP53MAPTALDH1A1MITFHTT
SCHEMBL4690880 0.81 TP53 (0.50) TP53MAPTALDH1A1MITFLMNA
SCHEMBL4694302 0.81 MAPT (0.55) TP53MAPTHTTLMNAPOLB

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 TP53 4359/4885MAPT 3850/4885ALDH1A1 1773/4885

“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.