SCHEMBL4773822

SCHEMBL4773822

CC(C)(C)OC(=O)N1CCC(Oc2nccs2)CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.52
HPGD P15428 1/20 0.45
PIK3CD O00329 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
SCHEMBL27362050 0.93 PIK3CD (0.53) GPR119PIK3CD
SCHEMBL5267119 0.81 HRH3 (0.39)
SCHEMBL5271540 0.80 GPR119 (0.52) GPR119PIK3CD
SCHEMBL987912 0.80 GPR119 (0.53) GPR119
SCHEMBL4714125 0.79 GPR119 (0.62) GPR119
SCHEMBL5270564 0.79 GPR119 (0.51) GPR119HPGD
SCHEMBL15885187 0.79 GPR119 (0.51) GPR119HPGDPIK3CD
SCHEMBL14164241 0.79 GPR119 (0.48) GPR119
SCHEMBL15253247 0.78 GPR119 (0.47) GPR119
SCHEMBL407896 0.78 GPR119 (0.52) GPR119HPGD

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 11 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
EP-1347990-B1 Peptides having inhibiting activity to nitric oxyde production ASTELLAS PHARMA INC (JP) 2007-10-10 EP disclosed
US-7129243-B2 Peptide compounds ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
US-20040097425-A1 Peptide compounds ASTELLAS PHARMA INC. (JP) 2004-05-20 US disclosed
EP-1347990-A2 PEPTIDE MIT INHIBIERENDER AKTIVITÄT ZUR PRODUKTION VON STICKSTOFFMONOXID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-01 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
WO-2002055541-A2 PEPTIDES HAVING INHIBITING ACTIVITY ON THE PRODUCTION OF NITRIC OXIDE FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-18 WO 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 (2 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-20040097425-A1 Peptide compounds VIP, NOS1, NOS3 GPR119 118/4885HPGD 727/4885PIK3CD 4803/4885
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 GPR119 447/4885HPGD 1334/4885PIK3CD 4424/4885

“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.