SCHEMBL4244414

SCHEMBL4244414

Cc1cccc(OC(c2ccc(Br)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.53
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRM5 P41594 1/20 0.43
GPR119 Q8TDV5 7/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
FPR2 P25090 2/20 0.40
PARP1 P09874 2/20 0.40
FPR3 P25089 1/20 0.40
EED O75530 1/20 0.40
RBBP4 Q09028 1/20 0.40
SUZ12 Q15022 1/20 0.40

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
SCHEMBL4245272 0.90 CCR5 (0.44) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4240590 0.90 CCR5 (0.48) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4241131 0.89 CCR5 (0.55) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4241126 0.89 CCR5 (0.55) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4239850 0.88 GPR119 (0.48) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4240598 0.83 CCR5 (0.49) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4240602 0.83 CCR5 (0.49) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4242235 0.79 MGLL (0.53) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4240891 0.79 CCR5 (0.58) CCR5NPC1ALDH1A1MAPTMAPK1
SCHEMBL4243472 0.79 GPR119 (0.47) CCR5GPR119

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.