SCHEMBL5527273

SCHEMBL5527273

Cc1ncnc(C)c1C(=O)N1CC2CN(CC[C@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2C1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.71
CCL5 P13501 12/20 0.59

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
SCHEMBL4972549 1.00 CCR5 (0.71) CCR5CCL5
SCHEMBL14591183 0.91 CCR5 (0.72) CCR5CCL5
SCHEMBL14440817 0.89 CCR5 (0.56) CCR5CCL5
Cyclopentane SCHEMBL4696157 0.88 CCR5 (0.82) CCR5CCL5
Cyclopropane SCHEMBL4695731 0.88 CCR5 (0.82) CCR5CCL5
SCHEMBL4692466 0.88 CCR5 (0.82) CCR5CCL5
SCHEMBL4694750 0.85 CCR5 (0.68) CCR5CCL5
SCHEMBL4694298 0.84 CCR5 (0.77) CCR5CCL5
SCHEMBL14591182 0.84 CCR5 (0.72) CCR5
SCHEMBL4692228 0.83 CCR5 (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 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-20070191406-A1 Heterocyclic antiviral compounds CCR5, CX3CR1, CXCR1 CCR5 1/4885CCL5 14/4885

“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.