SCHEMBL4241258

SCHEMBL4241258

COc1ccc(C2(C3CCN(C(C)CCN)CC3)Oc3ccc(F)cc3O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 1/20 0.34
CHRM2 P08172 3/20 0.34
HSD11B1 P28845 1/20 0.33
DPP4 P27487 1/20 0.33
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL4242947 0.88 CCR5 (0.46) CCR5MEN1KMT2A
SCHEMBL4247923 0.87 CCR5 (0.52) CCR5HSD11B1DPP4
SCHEMBL4241361 0.85 CCR5 (0.40) CCR5CHRM2HSD11B1DPP4
SCHEMBL4245517 0.79 CCR5 (0.49) CCR5KCNH2HSD11B1
SCHEMBL4236540 0.78 CCR5 (0.54) CCR5KCNH2
SCHEMBL4241263 0.77 SYK (0.35) MEN1KMT2AHTR2AHTR2CKCNH2
SCHEMBL4239992 0.76 CCR5 (0.49) CCR5CHRM2
SCHEMBL4242471 0.76 CCR5 (0.51) CCR5MEN1KMT2A
SCHEMBL4239108 0.75 CCR5 (0.62) CCR5MAOBMAOA
SCHEMBL4240091 0.74 CCR5 (0.48) CCR5DRD2HTR2AHTR2CKCNH2

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 CCR5 1/4885MEN1 4855/4885KMT2A 4728/4885

“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.