SCHEMBL4828455

SCHEMBL4828455

CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCNCC2

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.60
CYP2C9 P11712 3/20 0.60
CYP2D6 P10635 2/20 0.60
CXCR4 P61073 2/20 0.58

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
SCHEMBL6012567 1.00 CCR5 (0.60) CCR5CYP2C9CYP2D6CXCR4
SCHEMBL5612157 1.00 CCR5 (0.60) CCR5CYP2C9CYP2D6CXCR4
SCHEMBL14381229 1.00 CCR5 (0.60) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL5612476 0.99 CCR5 (0.61) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL5612471 0.99 CCR5 (0.61) CCR5CYP2C9CYP2D6CXCR4
Hydrochloric Acid SCHEMBL6189682 0.99 CCR5 (0.61) CCR5CYP2C9CYP2D6CXCR4
SCHEMBL14381225 0.99 CCR5 (0.59) CCR5CYP2C9CYP2D6CXCR4
SCHEMBL4828467 0.95 CCR5 (0.60) CCR5CYP2C9CYP2D6CXCR4
SCHEMBL14381227 0.93 CCR5 (0.57) CCR5CYP2C9CYP2D6CXCR4
SCHEMBL14381226 0.89 CCR5 (0.50) 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 19 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
US-7361758-B2 Crystals of triazaspiro[5.5]undecane derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed
US-7361758-B2 Crystals of triazaspiro[5.5]undecane derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed
US-7361758-B2 Crystals of triazaspiro[5.5]undecane derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 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
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
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-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 disclosed
US-20060052407-A1 Novel crystals of triazaspiro [5.5] undecane derivative ONO PHARMACEUTICAL CO,., LTD (JP) 2006-03-09 US disclosed
EP-1541573-A1 NOVEL CRYSTALS OF TRIAZASPIRO 5.5 UNDECANE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP 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
US-20040106619-A1 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2004-06-03 US disclosed
US-20040097511-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient PANASONIC CORPORATION (JP) 2004-05-20 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-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 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 (3 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-20060052407-A1 Novel crystals of triazaspiro [5.5] undecane derivative ACKR3, CCR10, CCR9 CCR5 4/4885CYP2C9 836/4885CYP2D6 2291/4885
US-20040106619-A1 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient NONO, NAA15, USO1 CCR5 369/4885CYP2C9 860/4885CYP2D6 1514/4885
US-20040097511-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient CXCR5, CCL11, ACKR3 CCR5 5/4885CYP2C9 692/4885CYP2D6 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.