SCHEMBL4240590

SCHEMBL4240590

CC(C)(C)OC(=O)N1CCC(C(Oc2cccc(Cl)n2)c2ccc(Br)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.48
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
STS P08842 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
CNR1 P21554 1/20 0.39
EED O75530 1/20 0.39
RBBP4 Q09028 1/20 0.39
SUZ12 Q15022 1/20 0.39
EZH2 Q15910 1/20 0.39
AEBP2 Q6ZN18 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
SCHEMBL4244414 0.90 CCR5 (0.53) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4240891 0.89 CCR5 (0.58) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4245272 0.89 CCR5 (0.44) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4236429 0.88 GPR119 (0.47) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4240598 0.81 CCR5 (0.49) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4240602 0.81 CCR5 (0.49) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4241131 0.79 CCR5 (0.55) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4241126 0.79 CCR5 (0.55) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4239850 0.79 GPR119 (0.48) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4242235 0.78 MGLL (0.53) CCR5NPC1ALDH1A1MAPTMAPK1

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 1/4885NPC1 542/4885ALDH1A1 3358/4885

“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.