SCHEMBL3283591

SCHEMBL3283591

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4c(C)ncnc4C)CC3C2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCL5 P13501 17/20 0.51
CCR5 P51681 9/20 0.51
KCNH2 Q12809 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
Trifluoroacetic Acid SCHEMBL5534986 0.94 CCL5 (0.51) CCL5CCR5KCNH2
SCHEMBL3282221 0.91 CCR5 (0.51) CCL5CCR5
SCHEMBL4694331 0.87 TP53 (0.47)
SCHEMBL3281859 0.87 CCR5 (0.52) CCR5
SCHEMBL4690401 0.87 TP53 (0.47)
SCHEMBL4694262 0.87 SMN1; SMN2 (0.48)
SCHEMBL4690123 0.86 MAPT (0.49) KCNH2
SCHEMBL4691529 0.86 ALDH1A1 (0.51) CCR5
SCHEMBL4692105 0.86 CCR5 (0.46) CCL5CCR5
SCHEMBL4693617 0.85 CCR5 (0.51) CCL5CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987035-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
WO-2007093515-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN LA-ROCHE AG (CH) 2007-08-23 WO claimed
US-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 US 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
EP-2734531-A1 PHOSPHOLIPID-DETERGENT CONJUGATES AND USES THEREOF Université de Strasbourg (FR) 2014-05-28 EP disclosed
WO-2013014073-A1 PHOSPHOLIPID-DETERGENT CONJUGATES AND USES THEREOF UNIVERSITE DE STRASBOURG (FR) 2013-01-31 WO disclosed
US-7714018-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
EP-1987035-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
EP-1879847-A1 TERRYLENE AND QUATERRYLENE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2008-01-23 EP 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
WO-2007093515-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN LA-ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 US 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
WO-2006117383-A1 TERRYLENE AND QUATERRYLENE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2006-11-09 WO 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 (3 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-20070191406-A1 Heterocyclic antiviral compounds CCR5, CX3CR1, CXCR1 CCL5 14/4885CCR5 1/4885KCNH2 1746/4885
US-20060014767-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 CCL5 7/4885CCR5 1/4885KCNH2 3249/4885
US-20070117859-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 CCL5 7/4885CCR5 1/4885KCNH2 3249/4885

“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.