SCHEMBL2811600

SCHEMBL2811600

COc1ccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.51
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
PTK2 Q05397 1/20 0.48
USP30 Q70CQ3 4/20 0.46
MMP1 P03956 3/20 0.46
MMP3 P08254 3/20 0.46
MMP7 P09237 3/20 0.46
MMP9 P14780 3/20 0.46
MMP8 P22894 3/20 0.46
MMP13 P45452 3/20 0.46
MMP2 P08253 2/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
STS P08842 2/20 0.45
SRC P12931 2/20 0.44
ABL1 P00519 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
SCHEMBL2811603 1.00 GPR119 (0.51) GPR119HTTALDH1A1JAK2JAK3
SCHEMBL2808641 0.91 USP30 (0.54) GPR119JAK2JAK3PTK2USP30
SCHEMBL2808643 0.91 USP30 (0.54) GPR119JAK2JAK3PTK2USP30
SCHEMBL16267455 0.89 MEN1 (0.49) GPR119HTTALDH1A1JAK2JAK3
SCHEMBL5959122 0.86 MEN1 (0.46) ALDH1A1KDM4EMEN1HPGDTSHR
SCHEMBL5959119 0.86 MEN1 (0.46) ALDH1A1KDM4EMEN1HPGDTSHR
SCHEMBL3078951 0.86 ALDH1A1 (0.57) GPR119HTTALDH1A1MMP1MMP3
SCHEMBL8194766 0.86 ALDH1A1 (0.57) GPR119HTTALDH1A1MMP1MMP3
SCHEMBL7841659 0.82 GPR119 (0.56) GPR119JAK2JAK3PTK2USP30
SCHEMBL7841657 0.82 GPR119 (0.56) GPR119JAK2JAK3PTK2USP30

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-8362040-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2013-01-29 US disclosed
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2010-09-23 US disclosed
US-7754727-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2010-07-13 US disclosed
EP-1689712-B1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
US-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2008-10-30 US disclosed
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors SEDRANI RICHARD 2007-04-05 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 (3 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-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE GPR119 235/4885HTT 2227/4885ALDH1A1 417/4885
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE GPR119 228/4885HTT 1926/4885ALDH1A1 466/4885
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors REN, AGTR1, ACE GPR119 228/4885HTT 1926/4885ALDH1A1 466/4885

“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.