SCHEMBL6189922

SCHEMBL6189922

CCCCN1C(=O)[C@@H](CC2(O)CCCCC2)NC(=O)C12CCN(CCCCOc1ccc(NS(C)(=O)=O)cc1)CC2

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.60
CXCR4 P61073 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
Hydrochloric Acid SCHEMBL6189045 0.99 CCR5 (0.61) CCR5CXCR4CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6192516 0.98 CCR5 (0.60) CCR5CXCR4CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6186217 0.95 CCR5 (0.61) CCR5CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6189617 0.89 CCR5 (0.53) CCR5CXCR4
Hydrochloric Acid SCHEMBL6188371 0.88 CCR5 (0.59) CCR5CXCR4CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6187473 0.88 CCR5 (0.59) CCR5CXCR4
Hydrochloric Acid SCHEMBL6187002 0.87 CCR5 (0.57) CCR5CXCR4CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6186603 0.87 CCR5 (0.78) CCR5CYP3A4CYP2C9
SCHEMBL5346464 0.87 CCR5 (0.79) CCR5CYP3A4CYP2C9
SCHEMBL5349334 0.87 CCR5 (0.79) CCR5CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267114-A1 Triazaspiro[5.5]undecane derivatives and drugs comprising the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-01 US claimed
EP-1541574-A1 TRIAZASPIRO 5.5 UNDECANE DERIVATIVES AND DRUGS COMPRISI NG THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP claimed
EP-4143235-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION IncellDx, Inc. (US) 2023-03-08 EP disclosed
WO-2021222069-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION INCELLDX, INC. (US) 2021-11-04 WO disclosed
US-20050267114-A1 Triazaspiro[5.5]undecane derivatives and drugs comprising the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-01 US disclosed
EP-1541574-A1 TRIAZASPIRO 5.5 UNDECANE DERIVATIVES AND DRUGS COMPRISI NG THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP 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-20050267114-A1 Triazaspiro[5.5]undecane derivatives and drugs comprising the same as the active ingredient HLA-DRB1, TLR5, HLA-C CCR5 350/4885CXCR4 1535/4885CYP3A4 1982/4885

“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.