SCHEMBL4243000

SCHEMBL4243000

CC(=O)Nc1ccc(N(Cc2cc(C#N)ccc2F)C2CCN([C@H](C)CC(N)=O)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.45
MCHR1 Q99705 2/20 0.36
CYP2D6 P10635 3/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
PGR P06401 3/20 0.35
CYP2C9 P11712 3/20 0.35
EP300 Q09472 1/20 0.35

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
SCHEMBL4243009 0.92 CCR5 (0.48) CCR5CYP2D6PGRCYP2C9
SCHEMBL4236388 0.88 CCR5 (0.44) CCR5MCHR1CYP2D6PGRCYP2C9
SCHEMBL4245284 0.84 CCR5 (0.44) CCR5MCHR1CYP2D6PGRCYP2C9
SCHEMBL4248651 0.84 CCR5 (0.44) CCR5CYP2D6PGRCYP2C9
SCHEMBL4240470 0.84 CCR5 (0.45) CCR5CYP2D6PGRCYP2C9
SCHEMBL13931566 0.83 CCR5 (0.55) CCR5
SCHEMBL4248543 0.83 CCR5 (0.52) CCR5CYP2D6PGRCYP2C9
SCHEMBL4249155 0.82 CCR5 (0.51) CCR5
SCHEMBL4247132 0.81 CCR5 (0.41) CCR5CYP2D6PGRCYP2C9
SCHEMBL4244224 0.81 CCR5 (0.51) CCR5CYP2D6PGRCYP2C9

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 10 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
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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 (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 1/4885MCHR1 340/4885CYP2D6 3964/4885

“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.