SCHEMBL4777285

SCHEMBL4777285

CC(C)(C)OC(=O)N1CCC(C(OS(C)(=O)=O)c2cccnc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.54
CYP3A4 P08684 1/20 0.47
CYP3A5 P20815 1/20 0.47
MMP13 P45452 2/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
IDO1 P14902 3/20 0.42
NAMPT P43490 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
SCHEMBL4771701 0.87 MMP13 (0.52) GPR119MMP13
SCHEMBL2280639 0.85 GPR119 (0.56) GPR119CYP3A4CYP3A5CCNA2CDK2
SCHEMBL2282506 0.83 GPR119 (0.60) GPR119CYP3A4CYP3A5CCNA2CDK2
SCHEMBL3295647 0.83 GPR119 (0.60) GPR119CYP3A4CYP3A5MMP13CCNA2
SCHEMBL25595603 0.83 GPR119 (0.60) GPR119CYP3A4CYP3A5CCNA2CDK2
SCHEMBL12255482 0.83 GPR119 (0.60) GPR119CYP3A4CYP3A5CCNA2CDK2
SCHEMBL1328345 0.80 GPR119 (0.53) GPR119MMP13
SCHEMBL23211967 0.80 GPR119 (0.55) GPR119CYP3A4CYP3A5
SCHEMBL21382279 0.80 GPR119 (0.55) GPR119CYP3A4CYP3A5
SCHEMBL30567978 0.80 GPR119 (0.55) GPR119CYP3A4CYP3A5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1220842-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-10 EP disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 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-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 GPR119 447/4885CYP3A4 1064/4885CYP3A5 294/4885

“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.