SCHEMBL5846175

SCHEMBL5846175

CCO[C]1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
ADRB1 P08588 1/20 0.47
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
DRD4 P21917 1/20 0.46
ALDH1A1 P00352 4/20 0.45
PLA2G1B P04054 1/20 0.45
RAB9A P51151 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
ADRA1D P25100 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL14689798 0.82 HSD17B10 (0.53) KDM4ELMNADRD2ALDH1A1HSD17B10
SCHEMBL1057317 0.81 ADRB1 (0.52) KDM4ELMNAADRB1DRD2DRD3
SCHEMBL22887 0.75 KDM4E (0.46) KDM4ELMNAADRB1DRD2DRD3
SCHEMBL28396664 0.73 ADRB1 (0.71) KDM4ELMNAADRB1DRD2DRD3
SCHEMBL5846178 0.72 HCRTR2 (0.47) KDM4ELMNAADRB1DRD2DRD3
SCHEMBL9565835 0.72 KDM4E (0.66) KDM4ELMNAADRB1DRD2DRD3
SCHEMBL30407939 0.69 ADRB1 (0.65) KDM4ELMNAADRB1DRD2DRD3
SCHEMBL1825806 0.69 ADRB1 (0.65) KDM4ELMNAADRB1DRD2DRD3
SCHEMBL22663406 0.69 KDM4E (0.50) KDM4ELMNAADRB1DRD2DRD3
SCHEMBL424507 0.69 DRD2 (0.75) KDM4ELMNAADRB1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117362374-A Method for protecting hydroxyl and amino in compound containing hydroxyl and amino 天津兴博润生物制药有限公司 2024-01-09 CN disclosed
US-7022833-B2 Process for the preparation of phosphorothioate triesters AVECIA LIMITED (GB) 2006-04-04 US disclosed
EP-1272501-B1 PROCESS FOR THE PREPARATION OF PHOSPHOROTHIOATE TRIESTERS AVECIA LTD (GB) 2004-05-06 EP disclosed
WO-2003045969-A1 COUPLING REAGENT FOR H-PHOSPHONATE CHEMISTRY AVECIA BIOTECHNOLOGY INC. (US) 2003-06-05 WO disclosed
US-20030099981-A1 Process for the preparation of phosphorothioate triesters NITTO DENKO AVECIA, INC. 2003-05-29 US disclosed
EP-1272501-A1 PROCESS FOR THE PREPARATION OF PHOSPHOROTHIOATE TRIESTERS Avecia Limited (GB) 2003-01-08 EP disclosed
WO-2001064702-A1 PROCESS FOR THE PREPARATION OF PHOSPHOROTHIOATE TRIESTERS AVECIA LIMITED (GB) 2001-09-07 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 (1 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-20030099981-A1 Process for the preparation of phosphorothioate triesters OSGEP, NUDT1, PNKP KDM4E 4015/4885LMNA 2930/4885ADRB1 4175/4885

“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.