SCHEMBL3755407

SCHEMBL3755407

CCNC(=O)N(Cc1cccc(C#N)n1)C1CCN(C(C)CCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.53
KCNH2 Q12809 1/20 0.44
UBE2M P61081 6/20 0.41
DCUN1D1 Q96GG9 6/20 0.41

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
SCHEMBL4246854 0.84 CCR5 (0.73) CCR5KCNH2
SCHEMBL4246860 0.84 CCR5 (0.73) CCR5KCNH2
SCHEMBL3758306 0.83 CCR5 (0.66) CCR5KCNH2
SCHEMBL3758302 0.83 CCR5 (0.66) CCR5KCNH2
SCHEMBL3758196 0.82 CCR5 (0.48) CCR5
SCHEMBL13052210 0.82 CCR5 (0.48) CCR5
SCHEMBL3760843 0.76 CCR5 (0.67) CCR5KCNH2
SCHEMBL3760846 0.76 CCR5 (0.67) CCR5KCNH2
SCHEMBL3760478 0.72 CCR5 (0.62) CCR5KCNH2
SCHEMBL3760479 0.72 CCR5 (0.62) CCR5KCNH2

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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 WO 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 CCR5 1/4885KCNH2 4679/4885UBE2M 4562/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CCR5 1/4885KCNH2 4679/4885UBE2M 4562/4885

“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.