SCHEMBL4248663

SCHEMBL4248663

CC(=O)c1ccc(N(Cc2cc(C#N)ccc2F)C2CCN([C@H](C)CCN)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.48
PGR P06401 6/20 0.40
CYP2C9 P11712 5/20 0.40
CYP2D6 P10635 4/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL4248651 0.91 CCR5 (0.44) CCR5PGRCYP2C9CYP2D6KCNH2
SCHEMBL4240473 0.89 CCR5 (0.46) CCR5PGRCYP2C9CYP2D6KCNH2
SCHEMBL4236391 0.89 CCR5 (0.48) CCR5PGRCYP2C9CYP2D6
SCHEMBL4240580 0.88 CCR5 (0.44) CCR5PGRCYP2C9CYP2D6KCNH2
SCHEMBL4245286 0.87 CCR5 (0.48) CCR5PGRCYP2C9CYP2D6
SCHEMBL4240149 0.87 CCR5 (0.47) CCR5PGRCYP2C9CYP2D6
SCHEMBL4239099 0.87 CCR5 (0.60) CCR5KCNH2
SCHEMBL4248545 0.87 CCR5 (0.54) CCR5PGRCYP2C9CYP2D6
SCHEMBL4249160 0.86 CCR5 (0.51) CCR5KCNH2
SCHEMBL4238957 0.85 CCR5 (0.49) CCR5PGRCYP2C9CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US claimed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP claimed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP claimed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US claimed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO claimed
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CCR5 1/4885PGR 976/4885CYP2C9 4329/4885

“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.