SCHEMBL2428360

SCHEMBL2428360

COC(=O)c1cccnc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.57
GRM1 Q13255 10/20 0.57
PDE10A Q9Y233 2/20 0.51
PDK4 Q16654 1/20 0.49
NAMPT P43490 1/20 0.48
POLB P06746 1/20 0.48
TNK2 Q07912 2/20 0.47

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
SCHEMBL20955503 0.89 GRM5 (0.59) GRM5GRM1PDE10APDK4NAMPT
SCHEMBL15941818 0.85 GRM5 (0.59) GRM5GRM1PDE10APDK4NAMPT
SCHEMBL31306939 0.84 GRM5 (0.61) GRM5GRM1PDE10APDK4NAMPT
SCHEMBL4001532 0.84 GRM5 (0.63) GRM5GRM1PDE10APDK4NAMPT
SCHEMBL4000426 0.84 GRM5 (0.60) GRM5GRM1PDE10APDK4POLB
SCHEMBL73964 0.84 GRM5 (0.60) GRM5GRM1PDE10APDK4NAMPT
SCHEMBL3791998 0.84 GRM5 (0.71) GRM5GRM1PDE10APDK4NAMPT
SCHEMBL2422977 0.83 PDK4 (0.57) GRM5GRM1PDE10APDK4NAMPT
SCHEMBL13473858 0.83 GRM1 (0.48) GRM5GRM1PDE10APDK4NAMPT
SCHEMBL30736543 0.82 PDK4 (0.64) GRM5GRM1PDE10APDK4NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 EP disclosed
EP-2550252-B1 1-(2-PHENOXYMETHYLHETEROARYL)PIPERIDINE AND PIPERAZINE COMPOUNDS THERAVANCE BIOPHARMA R & D IP LLC (US) 2015-05-06 EP disclosed
US-8530663-B2 1-(2-phenoxymethylheteroaryl)piperidine and piperazine compounds THERAVANCE, INC. (US) 2013-09-10 US disclosed
US-8530663-B2 1-(2-phenoxymethylheteroaryl)piperidine and piperazine compounds THERAVANCE, INC. (US) 2013-09-10 US disclosed
US-8530663-B2 1-(2-phenoxymethylheteroaryl)piperidine and piperazine compounds THERAVANCE, INC. (US) 2013-09-10 US disclosed
US-20110230495-A1 1-(2-PHENOXYMETHYLHETEROARYL)PIPERIDINE AND PIPERAZINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2011-09-22 US disclosed
US-20110230495-A1 1-(2-PHENOXYMETHYLHETEROARYL)PIPERIDINE AND PIPERAZINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2011-09-22 US disclosed
US-20110230495-A1 1-(2-PHENOXYMETHYLHETEROARYL)PIPERIDINE AND PIPERAZINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2011-09-22 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-20110230495-A1 1-(2-PHENOXYMETHYLHETEROARYL)PIPERIDINE AND PIPERAZINE COMPOUNDS HTR1A, HTR1D, HTR5A GRM5 309/4885GRM1 157/4885PDE10A 1780/4885
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 GRM5 467/4885GRM1 688/4885PDE10A 237/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 GRM5 452/4885GRM1 632/4885PDE10A 214/4885

“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.