SCHEMBL15834288

SCHEMBL15834288

CC(C)(C)OC(=O)N1CC=C(c2ccccc2N2CCC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.65
GRM5 P41594 9/20 0.56
GRM1 Q13255 9/20 0.56
HTR6 P50406 1/20 0.54
NAMPT P43490 1/20 0.53
CNR1 P21554 1/20 0.47
JAK1 P23458 1/20 0.46
PDE10A Q9Y233 2/20 0.46
BTK Q06187 1/20 0.46

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
SCHEMBL3436385 0.84 PDK4 (0.69) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL12712612 0.84 PDK4 (0.69) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL83700 0.83 PDK4 (0.68) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL30061046 0.83 PDK4 (0.68) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL17268510 0.83 PDK4 (0.68) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL2882861 0.83 PDK4 (0.68) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL3642397 0.83 PDK4 (0.68) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL30135250 0.83 PDK4 (0.68) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL4859866 0.82 PDK4 (0.67) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL4701991 0.82 PDK4 (0.67) PDK4GRM5GRM1HTR6NAMPT

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 14 patents. 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-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
US-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 Sanford Burnham Prebys Medical Discovery Institute 2017-08-24 US disclosed
US-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 Sanford Burnham Prebys Medical Discovery Institute 2017-08-24 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
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-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 US disclosed
WO-2014100501-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-26 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 (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-10584103-B2 Small molecule agonists of neurotensin receptor 1 NTSR1, NTSR2, VIPR1 PDK4 4787/4885GRM5 264/4885GRM1 104/4885
US-11261164-B2 Small molecule agonists of neurotensin receptor 1 NTSR1, NTSR2, VIPR1 PDK4 4787/4885GRM5 264/4885GRM1 104/4885
US-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 NTSR1, NTSR2, VIPR1 PDK4 4787/4885GRM5 264/4885GRM1 104/4885
US-10118902-B2 Small molecule agonists of neurotensin receptor 1 NTSR1, NTSR2, VIPR1 PDK4 4787/4885GRM5 264/4885GRM1 104/4885
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 PDK4 4787/4885GRM5 264/4885GRM1 104/4885
US-20200354324-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 PDK4 4787/4885GRM5 264/4885GRM1 104/4885
US-20190023665-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 PDK4 4787/4885GRM5 264/4885GRM1 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.