SCHEMBL3283069

SCHEMBL3283069

Cc1cccc(C)c1C(=O)N1CC2CN(CC[C@H](N)c3ccccn3)CC2C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.56
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
CCL5 P13501 6/20 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
Cyclopropane SCHEMBL4692203 0.84 CCR5 (0.65) CCR5
SCHEMBL3285413 0.84 CCR5 (0.70) CCR5CCL5
SCHEMBL3290682 0.84 CCR5 (0.70) CCR5CCL5
SCHEMBL4690420 0.80 CCR5 (0.57) CCR5HCRTR1HCRTR2CCL5
SCHEMBL5238746 0.80 CCR5 (0.60) CCR5
SCHEMBL3290783 0.78 CCR5 (0.67) CCR5CCL5
SCHEMBL4691069 0.78 CCR5 (0.62) CCR5
SCHEMBL4695881 0.78 CCR5 (0.62) CCR5CCL5
SCHEMBL13326713 0.77 CCL5 (0.59) CCR5CCL5
SCHEMBL4690784 0.77 CCR5 (0.68) 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 5 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
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-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 (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 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.