SCHEMBL3754244

SCHEMBL3754244

O=C1N(C2CCOCC2)C[C@@H](c2ccccc2)N1C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.53
CCR4 P51679 2/20 0.47
KCNH2 Q12809 1/20 0.45

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
SCHEMBL3754248 1.00 CCR5 (0.53) CCR5CCR4KCNH2
SCHEMBL4552225 0.87 CCR5 (0.60) CCR5
SCHEMBL4415837 0.87 CCR5 (0.60) CCR5
SCHEMBL4596594 0.86 CCR5 (0.42) CCR5CCR4KCNH2
SCHEMBL4597969 0.86 CCR5 (0.50) CCR5CCR4KCNH2
SCHEMBL5573761 0.86 CCR5 (0.51) CCR5CCR4KCNH2
SCHEMBL4652438 0.86 CCR5 (0.52) CCR5CCR4KCNH2
SCHEMBL4597966 0.86 CCR5 (0.50) CCR5CCR4KCNH2
SCHEMBL4652432 0.86 CCR5 (0.52) CCR5CCR4KCNH2
SCHEMBL5573756 0.86 CCR5 (0.51) CCR5CCR4KCNH2

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-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
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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 (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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 CCR5 1/4885CCR4 18/4885KCNH2 4679/4885
US-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 CCR5 1/4885CCR4 2/4885KCNH2 4762/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CCR5 1/4885CCR4 18/4885KCNH2 4679/4885

“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.