SCHEMBL83151

SCHEMBL83151

CC(C)(C)OC(=O)N1CC=C(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.63
HTR6 P50406 1/20 0.52
GRM1 Q13255 9/20 0.52
GRM5 P41594 9/20 0.52
NAMPT P43490 1/20 0.51
PDE10A Q9Y233 1/20 0.47
CNR1 P21554 1/20 0.46
JAK1 P23458 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
BTK Q06187 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
SCHEMBL31155298 1.00 PDK4 (0.63) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL3953658 0.94 PDK4 (0.57) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL3435107 0.93 PDK4 (0.55) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL3435978 0.90 PDK4 (0.51) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL30193218 0.89 PDK4 (0.59) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL4248631 0.89 PDK4 (0.59) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL23629157 0.87 PDK4 (0.56) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL16100540 0.85 NR1H2 (0.52) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL30567480 0.85 NR1H2 (0.52) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL30567483 0.85 NR1H2 (0.52) PDK4HTR6GRM1GRM5NAMPT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11261164-B2 Small molecule agonists of neurotensin receptor 1 Sanford Burnham Prebys Medical Discovery Institute (US) 2022-03-01 US disclosed
US-20200354324-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2020-11-12 US disclosed
US-10584103-B2 Small molecule agonists of neurotensin receptor 1 Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-10 US disclosed
US-20190023665-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford Burnham Prebys Medical Discovery Institute 2019-01-24 US disclosed
US-10118902-B2 Small molecule agonists of neurotensin receptor 1 Sanford Burnham Prebys Medical Discovery Institute (US) 2018-11-06 US disclosed
US-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 Sanford Burnham Prebys Medical Discovery Institute 2017-08-24 US disclosed
EP-3160961-A2 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford-Burnham Medical Research Institute (US) 2017-05-03 EP disclosed
EP-2078003-B1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2017-03-08 EP disclosed
WO-2015200534-A2 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-30 WO disclosed
WO-2015200534-A2 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-30 WO disclosed
US-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
WO-2011033255-A1 (4-PHENYL-PIPERIDIN-1-YL)-[5-1H-PYRAZOL-4YL)-THIOPHEN-3-YL]-METHANONE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2011-03-24 WO disclosed
WO-2011033255-A1 (4-PHENYL-PIPERIDIN-1-YL)-[5-1H-PYRAZOL-4YL)-THIOPHEN-3-YL]-METHANONE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2011-03-24 WO disclosed
EP-2078003-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-07-15 EP disclosed
US-20090042938-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2009-02-12 US disclosed
WO-2008054702-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-08 WO disclosed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP disclosed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP disclosed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 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 (8 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-10584103-B2 Small molecule agonists of neurotensin receptor 1 NTSR1, NTSR2, VIPR1 PDK4 4787/4885HTR6 269/4885GRM1 104/4885
US-20090042938-A1 Chemical Compounds CHRM1, MRM1, H1-0 PDK4 4798/4885HTR6 4000/4885GRM1 1758/4885
US-11261164-B2 Small molecule agonists of neurotensin receptor 1 NTSR1, NTSR2, VIPR1 PDK4 4787/4885HTR6 269/4885GRM1 104/4885
US-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 NTSR1, NTSR2, VIPR1 PDK4 4787/4885HTR6 269/4885GRM1 104/4885
US-10118902-B2 Small molecule agonists of neurotensin receptor 1 NTSR1, NTSR2, VIPR1 PDK4 4787/4885HTR6 269/4885GRM1 104/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R PDK4 688/4885HTR6 206/4885GRM1 574/4885
US-20200354324-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 PDK4 4787/4885HTR6 269/4885GRM1 104/4885
US-20190023665-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 PDK4 4787/4885HTR6 269/4885GRM1 104/4885

“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.