SCHEMBL1665873

SCHEMBL1665873

CN(C)C(=O)Oc1ccc(C=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.73
BCHE P06276 4/20 0.55
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP2A6 P11509 2/20 0.50
MEN1 O00255 1/20 0.50
NCEH1 Q6PIU2 1/20 0.49
TSHR P16473 2/20 0.46
ACHE P22303 2/20 0.46
ALDH1A3 P47895 1/20 0.46
CYP2A13 Q16696 1/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
MAPK1 P28482 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL6450091 0.85 RAB9A (1.00) RAB9ABCHEKMT2AALDH1A1GAA
SCHEMBL9320116 0.79 ALDH1A1 (0.48) RAB9ABCHEKMT2AALDH1A1CYP2A6
SCHEMBL8519068 0.79 BCHE (0.59) RAB9ABCHEKMT2AALDH1A1GAA
SCHEMBL1665849 0.78 KMT2A (0.50) RAB9ABCHEKMT2AALDH1A1CYP2A6
P-Tolyl Dimethylcarbamate SCHEMBL360147 0.78 RAB9A (0.83) RAB9ABCHEKMT2AALDH1A1GAA
SCHEMBL203500 0.78 KMT2A (0.61) KMT2AALDH1A1GAAPKMCYP2A6
SCHEMBL14783590 0.77 KMT2A (0.62) KMT2AALDH1A1CYP2A6MEN1ALDH1A3
4-Chlorophenyl Dimethylcarbamate SCHEMBL11300470 0.76 RAB9A (0.79) RAB9ABCHEKMT2AALDH1A1GAA
SCHEMBL4643258 0.76 KMT2A (0.56) KMT2AALDH1A1CYP2A6MEN1ALDH1A3
SCHEMBL9301148 0.76 RAB9A (0.79) RAB9ABCHEKMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493905-B1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT CO LLC (PR) 2016-11-30 EP disclosed
US-8822435-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-09-02 US disclosed
US-20140194389-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2014-07-10 US disclosed
US-8710215-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-04-29 US disclosed
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2013-02-07 US disclosed
US-8314081-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2012-11-20 US disclosed
EP-2493905-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS Warner Chilcott Company, LLC (PR) 2012-09-05 EP disclosed
US-8034949-B2 Pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-11 US disclosed
WO-2011056589-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT COMPANY, LLC (US) 2011-05-12 WO disclosed
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2011-04-28 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
EP-1748980-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2007-02-07 EP disclosed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 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 (4 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-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 RAB9A 766/4885BCHE 1079/4885KMT2A 1998/4885
US-20140194389-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN RAB9A 556/4885BCHE 4038/4885KMT2A 4240/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN RAB9A 556/4885BCHE 4038/4885KMT2A 4240/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN RAB9A 556/4885BCHE 4038/4885KMT2A 4240/4885

“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.