SCHEMBL5525317

SCHEMBL5525317

Cc1cc(=O)n(C)c(C)c1C(=O)N1CC2CN(CC[C@H](N)c3cccc(F)c3)CC2C1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 0.49
CCL5 P13501 5/20 0.49
KCNH2 Q12809 1/20 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
SCHEMBL4755252 0.90 CCR5 (0.52) CCR5CCL5
SCHEMBL4691492 0.88 CCR5 (0.58) CCR5CCL5KCNH2
SCHEMBL14440808 0.85 CCR5 (0.59) CCR5CCL5KCNH2
SCHEMBL5662943 0.85 CCR5 (0.59) CCR5CCL5KCNH2
SCHEMBL3286470 0.82 CCR5 (0.70) CCR5CCL5KCNH2
SCHEMBL4693572 0.82 CCR5 (0.70) CCR5CCL5KCNH2
SCHEMBL5077824 0.82 CCR5 (0.60) CCR5CCL5KCNH2
SCHEMBL4693717 0.81 CCR5 (0.66) CCR5CCL5
SCHEMBL5660632 0.80 CCR5 (0.53) CCR5CCL5KCNH2
SCHEMBL5662670 0.79 CCR5 (0.57) CCR5CCL5KCNH2

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 14/4885KCNH2 1746/4885

“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.