SCHEMBL6186982

SCHEMBL6186982

CCCCN1C(=O)[C@@H]([C@H](O)C2CCOCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NC(=O)C(C)C)cc3)cc1)CC2

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.69
CYP2C9 P11712 3/20 0.68
CYP2D6 P10635 2/20 0.68
CXCR4 P61073 2/20 0.68

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 SCHEMBL6189902 0.99 CCR5 (0.70) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL5783332 0.94 CCR5 (0.63) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL6186493 0.93 CCR5 (0.61) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL6190718 0.92 CCR5 (0.72) CCR5CYP2C9CYP2D6CXCR4
SCHEMBL6186716 0.92 CCR5 (0.68) CCR5CYP2C9CYP2D6CXCR4
SCHEMBL6186357 0.92 CCR5 (0.63) CCR5CYP2C9CYP2D6CXCR4
SCHEMBL30227253 0.92 CCR5 (0.63) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL6189962 0.91 CCR5 (0.69) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL5578699 0.91 CCR5 (0.63) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL5578702 0.91 CCR5 (0.63) CCR5CYP2C9CYP2D6CXCR4

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 350/4885CYP2C9 2054/4885CYP2D6 3446/4885

“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.