SCHEMBL13600086

SCHEMBL13600086

Cc1nn(C2CCCCC2)c(C)c1C(=O)N1CC2CN(CCC3(c4ccccc4)CCCC3)CC2C1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.57

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
SCHEMBL3270771 0.85 CCR5 (0.67) CCR5
SCHEMBL13600074 0.81 CCR5 (0.55) CCR5
SCHEMBL13600079 0.80 CCR5 (0.50) CCR5
SCHEMBL13600096 0.79 CCR5 (0.53) CCR5
SCHEMBL13600091 0.77 CCR5 (0.51) CCR5
SCHEMBL13600041 0.77 CCR5 (0.52) CCR5
SCHEMBL3271886 0.76 CCR5 (0.89) CCR5
SCHEMBL13600037 0.75 CCR5 (0.76) CCR5
SCHEMBL3270895 0.75 CCR5 (0.90) CCR5
SCHEMBL14440791 0.74 CCR5 (0.54) CCR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625905-B2 Octahydro-pyrrolo[3,4-c]pyrrole CCR5 receptor antagonists ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
US-20080103125-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-05-01 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-20080103125-A1 Heterocylic antiviral compounds CCR5, ACKR3, CXCR3 CCR5 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.