SCHEMBL4772966

SCHEMBL4772966

CC(C)(C)OC(=O)N1CCC(Sc2cccs2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.52
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 2/20 0.44
STS P08842 1/20 0.44
NPC1 O15118 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

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
SCHEMBL10667846 0.81 GAA (0.56) KDM4EALDH1A1NPC1MAPK1RAB9A
SCHEMBL8618331 0.80 GPR119 (0.49) GPR119KDM4EPKM
SCHEMBL985065 0.80 GPR119 (0.55) GPR119PTPN2PTPN1PTPN6KDM4E
SCHEMBL3128872 0.79 GPR119 (0.61) GPR119PTPN2PTPN1PTPN6KDM4E
SCHEMBL226265 0.78 ALDH1A1 (0.54) GPR119PTPN2PTPN1PTPN6ALDH1A1
SCHEMBL4777234 0.76 GPR119 (0.55) GPR119PTPN2PTPN1PTPN6
SCHEMBL1181631 0.76 GPR119 (0.54) GPR119PTPN2PTPN1PTPN6KDM4E
SCHEMBL970562 0.76 GPR119 (0.46) GPR119PTPN2PTPN1PTPN6KDM4E
SCHEMBL21752546 0.75 GPR119 (0.54) GPR119PTPN2PTPN1PTPN6KDM4E
SCHEMBL226791 0.75 EED (0.54) GPR119PTPN2PTPN1PTPN6KDM4E

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 GPR119 447/4885PTPN2 1624/4885PTPN1 1095/4885

“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.