SCHEMBL4771600

SCHEMBL4771600

CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.56
NAMPT P43490 1/20 0.54
TGFBR1 P36897 1/20 0.53
GPR119 Q8TDV5 11/20 0.52
MAPT P10636 1/20 0.52
MMP13 P45452 1/20 0.49

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
SCHEMBL4777070 0.90 NAMPT (0.56) STSNAMPTTGFBR1GPR119
SCHEMBL4777810 0.88 MMP13 (0.58) STSNAMPTGPR119MMP13
SCHEMBL1498436 0.86 STS (0.58) STSNAMPTTGFBR1GPR119
SCHEMBL23546383 0.86 GPR119 (0.60) STSNAMPTGPR119MMP13
SCHEMBL4768567 0.86 GPR119 (0.68) NAMPTGPR119
SCHEMBL1807945 0.86 GPR119 (0.57) STSNAMPTGPR119MMP13
SCHEMBL264928 0.85 NAMPT (0.56) STSNAMPTGPR119MAPT
SCHEMBL2796623 0.85 STS (0.67) STSNAMPTGPR119
SCHEMBL267388 0.85 NAMPT (0.56) STSNAMPTGPR119
SCHEMBL13947675 0.85 GPR119 (0.59) STSNAMPTTGFBR1GPR119

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 STS 3754/4885NAMPT 3332/4885TGFBR1 604/4885

“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.