SCHEMBL4245243

SCHEMBL4245243

CC(C)(C)OC(=O)N1CCC(C(O)c2nccs2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.54
RBBP4 Q09028 1/20 0.54
SUZ12 Q15022 1/20 0.54
EZH2 Q15910 1/20 0.54
AEBP2 Q6ZN18 1/20 0.54
GPR119 Q8TDV5 8/20 0.51
DPP4 P27487 1/20 0.44
CNR1 P21554 2/20 0.43
MMP13 P45452 2/20 0.43
FAAH O00519 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3057329 0.93 EED (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL634514 0.93 EED (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL635787 0.93 EED (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL634515 0.93 EED (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL13326703 0.93 EED (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL14481599 0.86 CNR1 (0.44) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL14972447 0.86 CNR1 (0.44) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL4771723 0.83 GPR119 (0.46) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL34470705 0.81 GPR119 (0.60) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL34470693 0.81 EED (0.58) EEDRBBP4SUZ12EZH2AEBP2

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 disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
US-7348324-B2 Cyclic amine compounds as CCR5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-25 US disclosed
EP-1886994-A1 Cyclic amine compounds as CCR5 antagonists Takeda Pharmaceutical Company Limited (JP) 2008-02-13 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
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists TOBIRA THERAPEUTICS, INC. 2003-06-19 US disclosed
US-6562978-B1 N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-13 US disclosed
CN-1390201-A cyclic amine compounds as CCR5 antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 CN 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 (2 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-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 EED 4686/4885RBBP4 3991/4885SUZ12 4464/4885
US-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 EED 4013/4885RBBP4 1395/4885SUZ12 3655/4885

“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.