SCHEMBL4773874

SCHEMBL4773874

Cn1ccnc1SC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.51
FAAH O00519 1/20 0.43
EPHX1 P07099 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
HPGD P15428 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
SCHEMBL5687370 0.83 L3MBTL1 (0.43) MAPTHPGD
SCHEMBL948563 0.80 GPR119 (0.53) GPR119FAAHEPHX1KDM4EMAPT
SCHEMBL5931506 0.76 SMN1; SMN2 (0.52) HPGD
SCHEMBL26230873 0.76 CHRM5 (0.46) GPR119
SCHEMBL4773832 0.76 GPR119 (0.43) GPR119EPHX1KDM4EMAPTTHRB
SCHEMBL4773866 0.75 NAMPT (0.53) GPR119PTPN2PTPN1PTPN6
SCHEMBL4777234 0.75 GPR119 (0.55) GPR119PTPN2PTPN1PTPN6
SCHEMBL4768721 0.75 GPR119 (0.62) GPR119KDM4EPTPN2PTPN1PTPN6
SCHEMBL1181631 0.75 GPR119 (0.54) GPR119FAAHKDM4EMAPTTHRB
SCHEMBL4768579 0.75 GPR119 (0.62) GPR119FAAHHPGD

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 447/4885FAAH 1416/4885EPHX1 1547/4885

“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.