SCHEMBL5346458

SCHEMBL5346458

CCCCN1C(=O)[C@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 1.00
CYP2C9 P11712 3/20 0.81
CYP2D6 P10635 2/20 0.81
CXCR4 P61073 2/20 0.78

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
SCHEMBL5349326 1.00 CCR5 (1.00) CCR5CYP2C9CYP2D6CXCR4
SCHEMBL6012705 1.00 CCR5 (1.00) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL5354232 0.99 CCR5 (1.00) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL5612457 0.99 CCR5 (1.00) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL5345990 0.99 CCR5 (1.00) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL6189268 0.96 CCR5 (0.93) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL6189145 0.95 CCR5 (0.91) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL6186536 0.95 CCR5 (0.91) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL6188278 0.94 CCR5 (0.90) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL6185072 0.94 CCR5 (0.89) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262193-B2 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed
EP-1619194-A2 Triazaspiro[5.5]undecane derivatives and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-25 EP claimed
US-20050215557-A1 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-09-29 US claimed
US-20040082584-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US claimed
EP-1378510-A1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-07 EP claimed
US-7262193-B2 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7262193-B2 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7262193-B2 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7053090-B2 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-30 US disclosed
EP-1619194-A2 Triazaspiro[5.5]undecane derivatives and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-25 EP disclosed
US-20050215557-A1 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-09-29 US disclosed
EP-1438962-A1 DRUGS COMPRISING COMBINATION OF TRIAZASPIRO 5,5 U NDECANE DERIVATIVE WITH CYTOCHROME P450 ISOZYME 3A4 INHIBITOR AND/OR P−GLYCOPROTEIN INHIBITOR ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP disclosed
US-20040082584-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1378509-A1 DRUGS CONTAINING TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-07 EP disclosed
EP-1378510-A1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-07 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 (2 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-20040082584-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient ACKR3, CXCR5, CCL11 CCR5 4/4885CYP2C9 642/4885CYP2D6 1096/4885
US-20050215557-A1 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ACKR3, CCL11, CCR7 CCR5 5/4885CYP2C9 712/4885CYP2D6 1535/4885

“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.