SCHEMBL2424923

SCHEMBL2424923

COC(=O)c1sccc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
EED O75530 1/20 0.48
RBBP4 Q09028 1/20 0.48
SUZ12 Q15022 1/20 0.48
EZH2 Q15910 1/20 0.48
AEBP2 Q6ZN18 1/20 0.48
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
STS P08842 1/20 0.46
GPR119 Q8TDV5 7/20 0.45
HTT P42858 2/20 0.45
NAMPT P43490 1/20 0.45
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2417525 0.84 ALDH1A1 (0.50) ALDH1A1MAPTHTTNPC1L3MBTL1
SCHEMBL1425292 0.83 GPR119 (0.50) ALDH1A1MAPTKDM4ETHRBPTPN2
SCHEMBL15028344 0.81 PDE4B (0.50) ALDH1A1EEDRBBP4SUZ12EZH2
SCHEMBL7486842 0.81 ALDH1A1 (0.60) ALDH1A1EEDRBBP4SUZ12EZH2
SCHEMBL2427750 0.81 EED (0.56) ALDH1A1EEDRBBP4SUZ12EZH2
SCHEMBL25131450 0.81 ALDH1A1 (0.46) ALDH1A1MAPTHTTNPC1L3MBTL1
SCHEMBL2454067 0.80 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EHTT
SCHEMBL2423692 0.80 KDM4E (0.47) ALDH1A1MAPTKDM4ETHRBPTPN2
SCHEMBL922043 0.78 EED (0.53) ALDH1A1EEDRBBP4SUZ12EZH2
SCHEMBL30736677 0.78 EED (0.53) ALDH1A1EEDRBBP4SUZ12EZH2

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 ALDH1A1 223/4885EED 1916/4885RBBP4 3717/4885
US-20130324550-A1 1-(2-PHENOXYMETHYLHETEROARYL) PIPERIDINE AND PIPERAZINE COMPOUNDS HTR1A, HTR1D, HTR5A ALDH1A1 223/4885EED 1916/4885RBBP4 3717/4885

“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.