SCHEMBL2765765

SCHEMBL2765765

CNc1ccc(CN2CCN(C(=O)O)[C@@H](C)C2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.49
FAAH O00519 1/20 0.49
PTGDR2 Q9Y5Y4 10/20 0.44
RORC P51449 2/20 0.39
KCNH2 Q12809 2/20 0.38
CCR1 P32246 1/20 0.38

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
SCHEMBL2766913 0.89 MGLL (0.48) MGLLFAAHPTGDR2RORCCCR1
SCHEMBL2768728 0.87 PTGDR2 (0.44) MGLLFAAHPTGDR2RORCKCNH2
SCHEMBL2765722 0.87 PTGDR2 (0.48) MGLLFAAHPTGDR2RORCCCR1
SCHEMBL377619 0.85 MGLL (0.43) MGLLFAAHPTGDR2
SCHEMBL377620 0.84 MGLL (0.38) MGLLFAAHPTGDR2
SCHEMBL2766969 0.83 MGLL (0.51) MGLLFAAHPTGDR2RORC
SCHEMBL2766842 0.82 MGLL (0.48) MGLLPTGDR2CCR1
SCHEMBL2785715 0.82 MGLL (0.48) MGLLPTGDR2CCR1
SCHEMBL20818264 0.80 MGLL (0.52) MGLLFAAHPTGDR2
SCHEMBL2766253 0.80 MGLL (0.43) MGLLFAAHPTGDR2RORCKCNH2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103108866-B cyclohexane derivative compound DAIICHI SANKYO Co.,Ltd. (JP) 2015-09-09 CN disclosed
US-9051255-B2 Piperazinyl cyclohexane compounds as GPR38 agonists DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-09 US disclosed
US-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 US disclosed
US-20140221392-A1 CYCLOHEXANE DERIVATIVE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
US-20140221391-A1 CYCLOHEXANE DERIVATIVE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
EP-2623492-B1 CYCLOHEXANE DERIVATIVE COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-05-14 EP disclosed
US-8710060-B2 Piperazinyl methyl phenyl cyclohexane compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-04-29 US disclosed
US-20130289048-A1 CYCLOHEXANE DERIVATIVE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-10-31 US disclosed
EP-2623492-A1 CYCLOHEXANE DERIVATIVE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-07 EP disclosed
CN-103108866-A Cyclohexane derivative compound DAIICHI SANKYO CO LTD 2013-05-15 CN disclosed
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
US-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD. 2010-10-07 US disclosed
EP-2212299-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES Glaxo Group Limited (GB) 2010-08-04 EP disclosed
EP-2041093-B1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed
US-7700599-B2 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GLAXO GROUP LIMITED (GB) 2010-04-20 US disclosed
US-20090192160-A1 COMPOUNDS GLAXO GROUP LIMITED 2009-07-30 US disclosed
WO-2009068552-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2009-06-04 WO disclosed
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
US-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GLAXO GROUP LIMITED (GB) 2008-01-31 US 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 (7 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-20140221392-A1 CYCLOHEXANE DERIVATIVE COMPOUND HRH2, CBR1, HRH4 MGLL 2931/4885FAAH 993/4885PTGDR2 267/4885
US-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GPR68, GPR88, GIPR MGLL 1048/4885FAAH 1098/4885PTGDR2 206/4885
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 MGLL 1468/4885FAAH 1304/4885PTGDR2 220/4885
US-20140221391-A1 CYCLOHEXANE DERIVATIVE COMPOUND HRH2, CBR1, HRH4 MGLL 2931/4885FAAH 993/4885PTGDR2 267/4885
US-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GPR68, GPR88, GPR3 MGLL 1411/4885FAAH 390/4885PTGDR2 83/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 MGLL 1402/4885FAAH 896/4885PTGDR2 132/4885
US-20130289048-A1 CYCLOHEXANE DERIVATIVE COMPOUND HRH2, CBR1, HRH4 MGLL 2931/4885FAAH 993/4885PTGDR2 267/4885

“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.