SCHEMBL5340452

SCHEMBL5340452

CCCCN1C(=O)[C@@H](CC2(O)CCCCC2)NC(=O)C12CCN(Cc1c(C)nn(-c3ccc(Cl)cc3)c1C)CC2

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.67
CXCR3 P49682 1/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2D6 P10635 1/20 0.44

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 SCHEMBL6010945 0.99 CCR5 (0.68) CCR5CXCR3CYP3A4CYP2C9CYP2D6
SCHEMBL5341091 0.94 CCR5 (0.68) CCR5CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6010587 0.93 CCR5 (0.70) CCR5CYP3A4CYP2C9CYP2D6
SCHEMBL5343429 0.93 CCR5 (0.68) CCR5
SCHEMBL5356408 0.93 CCR5 (0.68) CCR5CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6010577 0.93 CCR5 (0.69) CCR5CYP3A4CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL6010984 0.93 CCR5 (0.69) CCR5CYP3A4CYP2C9CYP2D6
SCHEMBL5346104 0.93 CCR5 (0.77) CCR5CYP3A4CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL6638870 0.92 CCR5 (0.79) CCR5CYP3A4CYP2C9CYP2D6
SCHEMBL5345628 0.92 CCR5 (0.76) CCR5CYP3A4CYP2C9CYP2D6

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 12 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-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-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 4/4885CXCR3 13/4885CYP3A4 641/4885
US-20050215557-A1 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ACKR3, CCL11, CCR7 CCR5 5/4885CXCR3 10/4885CYP3A4 1049/4885

“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.