SCHEMBL4773698

SCHEMBL4773698

CC(C)(C)OC(=O)N1CCC([S+]([O-])c2ccc(F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MMP13 P45452 1/20 0.49
POLB P06746 1/20 0.48
GPR119 Q8TDV5 6/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
ALDH1A1 P00352 2/20 0.44
STS P08842 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 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

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
SCHEMBL20002917 0.93 MEN1 (0.47) MEN1KMT2AMMP13POLBGPR119
SCHEMBL13229888 0.88 STS (0.57) MEN1KMT2AGPR119PTPN2PTPN1
SCHEMBL14538368 0.88 ALDH1A1 (0.48) GPR119PTPN2PTPN1PTPN6ALDH1A1
SCHEMBL15231313 0.88 FPR2 (0.47) GPR119PTPN2PTPN1PTPN6ALDH1A1
SCHEMBL13947677 0.87 GPR119 (0.57) MEN1KMT2AGPR119PTPN2PTPN1
SCHEMBL17378585 0.84 ALDH1A1 (0.60) GPR119PTPN2PTPN1PTPN6ALDH1A1
SCHEMBL15232292 0.84 GPR119 (0.58) GPR119PTPN2PTPN1PTPN6
SCHEMBL8647516 0.83 MEN1 (0.49) MEN1KMT2AMMP13POLBGPR119
SCHEMBL23203914 0.81 USP2 (0.44) MEN1KMT2AMMP13POLBSMN1; SMN2
SCHEMBL20002628 0.81 USP30 (0.45) GPR119PTPN2PTPN1PTPN6ALDH1A1

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 7 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
CN-1390201-A cyclic amine compounds as CCR5 antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 CN 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 MEN1 2216/4885KMT2A 2421/4885MMP13 4131/4885

“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.