SCHEMBL4236508

SCHEMBL4236508

CSc1ccc(N(Cc2cccc(C#N)c2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.48
CCR5 P51681 6/20 0.45
KCNH2 Q12809 1/20 0.44
PGR P06401 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MCHR1 Q99705 1/20 0.43
MGLL Q99685 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42

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
SCHEMBL4242899 0.87 GPR119 (0.51) GPR119CCR5KCNH2
SCHEMBL4240125 0.86 CCR5 (0.47) GPR119CCR5KCNH2PGRCYP2D6
SCHEMBL4240390 0.86 CCR5 (0.47) GPR119CCR5KCNH2PGRCYP2D6
SCHEMBL4244941 0.86 CCR5 (0.47) GPR119CCR5KCNH2PGRCYP2D6
SCHEMBL4236724 0.84 CCR5 (0.47) GPR119CCR5KCNH2PGRCYP2D6
SCHEMBL4242907 0.83 CCR5 (0.48) GPR119CCR5KCNH2PGRCYP2D6
SCHEMBL312512 0.83 SLC6A2 (0.50) GPR119CCR5KCNH2PGRCYP2D6
SCHEMBL312577 0.82 SLC6A2 (0.66) GPR119CCR5PGRCYP2D6CYP2C9
SCHEMBL4116346 0.80 GPR119 (0.44) GPR119MEN1KMT2A
SCHEMBL4240462 0.79 GPR119 (0.54) GPR119CCR5MEN1KMT2A

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 5 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 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 GPR119 207/4885CCR5 1/4885KCNH2 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.