SCHEMBL3282633

SCHEMBL3282633

Cc1ccnc(C)c1C(=O)N1CC2CN(CCCN)CC2C1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 12/20 0.55
CCL5 P13501 10/20 0.46
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43

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
SCHEMBL3282627 0.86 CCR5 (0.56) CCR5CCL5
SCHEMBL3285363 0.86 CCR5 (0.54) CCR5CCL5
SCHEMBL4696790 0.84 CCR5 (0.57) CCR5CCL5HCRTR1HCRTR2
SCHEMBL4694002 0.83 CCR5 (0.49) CCR5CCL5
SCHEMBL4691694 0.82 CCR5 (0.52) CCR5CCL5
SCHEMBL4694005 0.82 CCR5 (0.59) CCR5CCL5
SCHEMBL3290783 0.81 CCR5 (0.67) CCR5CCL5
SCHEMBL4691691 0.80 CCR5 (0.51) CCR5CCL5
SCHEMBL4694000 0.80 CCR5 (0.57) CCR5CCL5
SCHEMBL13359810 0.80 CCR5 (0.53) CCR5CCL5

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
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
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 1/4885CCL5 7/4885HCRTR1 71/4885
US-20070117859-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 CCR5 1/4885CCL5 7/4885HCRTR1 71/4885

“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.