SCHEMBL5846178

SCHEMBL5846178

CCOC1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
ADRB1 P08588 1/20 0.46
NOTUM Q6P988 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PLA2G1B P04054 1/20 0.44
RAB9A P51151 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
TSHR P16473 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
DRD2 P14416 3/20 0.41
HTT P42858 1/20 0.41
DRD3 P35462 1/20 0.41
DRD4 P21917 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL14689801 0.83 HSD17B10 (0.51) HCRTR2KDM4ENOTUMALDH1A1TSHR
SCHEMBL1057318 0.81 ADRB1 (0.50) HCRTR2KDM4ELMNAADRB1NOTUM
SCHEMBL27937043 0.80 HCRTR2 (0.38) HCRTR2ALDH1A1HTT
SCHEMBL22663406 0.78 KDM4E (0.50) KDM4ELMNAADRB1NOTUMALDH1A1
SCHEMBL2165481 0.76 ALDH1A1 (0.67) KDM4EALDH1A1TSHR
SCHEMBL21682871 0.76 HRH3 (0.43) ALDH1A1HTT
SCHEMBL22888 0.75 KMT2A (0.50) KDM4ELMNAADRB1NOTUMCARM1
SCHEMBL21668750 0.75 NOTUM (0.54) HCRTR2KDM4ELMNAADRB1NOTUM
SCHEMBL22597892 0.75 POLB (0.56) KDM4ELMNAALDH1A1RAB9AHTT
SCHEMBL20755234 0.75 ADRB1 (0.50) KDM4ELMNAADRB1NOTUMALDH1A1

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 HCRTR2 4750/4885KDM4E 4015/4885LMNA 2930/4885

“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.