SCHEMBL6012674

SCHEMBL6012674

CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1c(C)nn(-c3ccccc3)c1C)CC2

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.68
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CXCR4 P61073 2/20 0.55

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
SCHEMBL6012876 1.00 CCR5 (0.68) CCR5CYP3A4CYP2D6CYP2C9CXCR4
SCHEMBL6012608 1.00 CCR5 (0.68) CCR5CYP3A4CYP2D6CYP2C9CXCR4
SCHEMBL6613211 0.95 CCR5 (0.76) CCR5CYP3A4CYP2D6CYP2C9CXCR4
SCHEMBL6617250 0.93 CCR5 (0.64) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL14404701 0.93 CCR5 (0.64) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6612911 0.92 CCR5 (0.64) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6012398 0.91 CCR5 (0.72) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6613627 0.90 CCR5 (0.66) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6012823 0.89 CCR5 (0.59) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6012681 0.89 CCR5 (0.67) CCR5CYP3A4CYP2D6CYP2C9CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119091-B2 Triazaspiro[5.5]undecane derivatives and pharmaceutical compositions comprising thereof, as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-10 US claimed
EP-1236726-B1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-12-01 EP claimed
US-20040097511-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient PANASONIC CORPORATION (JP) 2004-05-20 US claimed
EP-1236726-A1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-09-04 EP claimed
US-7285552-B2 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2007-10-23 US disclosed
US-7285552-B2 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2007-10-23 US disclosed
EP-1236726-B1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-12-01 EP 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
EP-1378509-A1 DRUGS CONTAINING TRIAZASPIRO 5.5]UNDECANE DERIVATIVES 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 (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-20040097511-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient CXCR5, CCL11, ACKR3 CCR5 5/4885CYP3A4 1204/4885CYP2D6 1481/4885

“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.