SCHEMBL3285409

SCHEMBL3285409

Cc1cccc(C(N)=O)c1C(=O)N1CC2CN(CC[CH]c3ccccc3)C[C@H]2C1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.50
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43
CCL5 P13501 3/20 0.38

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
SCHEMBL3290678 1.00 CCR5 (0.50) CCR5HCRTR1HCRTR2CCL5
SCHEMBL4691489 0.90 CCR5 (0.43) CCR5HCRTR1HCRTR2CCL5
SCHEMBL4692112 0.90 CCR5 (0.47) CCR5HCRTR1HCRTR2
SCHEMBL4695880 0.89 CCR5 (0.40) CCR5HCRTR1HCRTR2CCL5
SCHEMBL4690418 0.89 CCR5 (0.42) CCR5HCRTR1HCRTR2
SCHEMBL4696489 0.88 CCR5 (0.42) CCR5HCRTR1HCRTR2CCL5
SCHEMBL4690783 0.88 CCR5 (0.47) CCR5HCRTR1HCRTR2CCL5
SCHEMBL4690347 0.88 HCRTR2 (0.42) CCR5HCRTR1HCRTR2
SCHEMBL4693713 0.86 CCR5 (0.49) CCR5HCRTR1HCRTR2CCL5
SCHEMBL4690424 0.86 CCR5 (0.40) CCR5HCRTR1HCRTR2CCL5

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 12 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
EP-4143235-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION IncellDx, Inc. (US) 2023-03-08 EP disclosed
WO-2021222069-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION INCELLDX, INC. (US) 2021-11-04 WO disclosed
US-7714018-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2010-05-11 US 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
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 (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 CCR5 1/4885HCRTR1 71/4885HCRTR2 73/4885
US-20070117859-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 CCR5 1/4885HCRTR1 71/4885HCRTR2 73/4885

“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.