SCHEMBL2422672

SCHEMBL2422672

CC(C)(C)OC(=O)N1CCC(c2cscc2CO)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
GPR119 Q8TDV5 7/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
DPP4 P27487 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL30233524 0.81 GPR119 (0.53) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL1513166 0.81 GPR119 (0.53) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL2447286 0.80 POLB (0.44) GPR119HPGDALDH1A1
SCHEMBL2428188 0.79 EED (0.54) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL4465793 0.79 MAPT (0.47) KDM4EMAPTTHRBGPR119DPP4
SCHEMBL19284729 0.78 GPR119 (0.47) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL2422972 0.78 KDM4E (0.48) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL15000897 0.77 GPR119 (0.50) KDM4EMAPTTHRBGPR119DPP4
SCHEMBL16824980 0.77 MAPT (0.48) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL2338827 0.77 GPR119 (0.52) KDM4EMAPTTHRBGPR119DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550252-B1 1-(2-PHENOXYMETHYLHETEROARYL)PIPERIDINE AND PIPERAZINE COMPOUNDS THERAVANCE BIOPHARMA R & D IP LLC (US) 2015-05-06 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-20130324550-A1 1-(2-PHENOXYMETHYLHETEROARYL) PIPERIDINE AND PIPERAZINE COMPOUNDS THERAVANCE, INC. (US) 2013-12-05 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-8530663-B2 1-(2-phenoxymethylheteroaryl)piperidine and piperazine compounds THERAVANCE, INC. (US) 2013-09-10 US disclosed
WO-2011119461-A1 1-(2-PHENOXYMETHYLHETEROARYL)PIPERIDINE AND PIPERAZINE COMPOUNDS THERAVANCE, INC. (US) 2011-09-29 WO 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 (2 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 KDM4E 1169/4885MAPT 1677/4885THRB 988/4885
US-20130324550-A1 1-(2-PHENOXYMETHYLHETEROARYL) PIPERIDINE AND PIPERAZINE COMPOUNDS HTR1A, HTR1D, HTR5A KDM4E 1169/4885MAPT 1677/4885THRB 988/4885

“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.