SCHEMBL3283395

SCHEMBL3283395

Cc1nc(-c2ccncc2)nc(C)c1C(=O)N1CC2CN(CCC(N)c3ccccc3)CC2C1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCL5 P13501 15/20 0.50
CCR5 P51681 12/20 0.49

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
SCHEMBL4695142 1.00 CCL5 (0.50) CCL5CCR5
SCHEMBL4695016 0.94 CCL5 (0.53) CCL5CCR5
SCHEMBL4691442 0.87 CCL5 (0.56) CCL5CCR5
SCHEMBL4693859 0.86 CCR5 (0.52) CCL5CCR5
SCHEMBL13359853 0.85 CCL5 (0.54) CCL5CCR5
SCHEMBL4694046 0.84 CCL5 (0.48) CCL5CCR5
SCHEMBL4694909 0.84 CCL5 (0.58) CCL5CCR5
SCHEMBL4694364 0.83 CCL5 (0.52) CCL5CCR5
SCHEMBL5661046 0.83 CCL5 (0.53) CCL5CCR5
SCHEMBL4692801 0.83 CCL5 (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CCL5 7/4885CCR5 1/4885

“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.