SCHEMBL1684094

SCHEMBL1684094

CCOC(=O)C1(C(F)(F)F)CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.48
POLB P06746 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
TP53 P04637 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
DGAT1 O75907 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
Hydrochloric Acid SCHEMBL1282441 0.98 OPRM1 (0.47) OPRM1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL9313190 0.87 DGAT1 (0.41) OPRM1POLBSLC6A4OPRD1OPRK1
SCHEMBL1255240 0.84 SMN1; SMN2 (0.41) OPRM1POLBSLC6A4OPRD1OPRK1
SCHEMBL23726723 0.84 OPRM1 (0.38) OPRM1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL23727124 0.79 DGAT1 (0.37) OPRM1KMT2AKDM4EDGAT1
SCHEMBL378407 0.77 OPRM1 (0.46) OPRM1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL407780 0.77 OPRM1 (0.51) OPRM1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL21937394 0.77 DGAT1 (0.34) OPRM1KMT2AKDM4EDGAT1
SCHEMBL645638 0.76 OPRM1 (0.46) OPRM1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL2814112 0.76 OPRM1 (0.54) OPRM1POLBSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS OPRM1 2306/4885POLB 815/4885SLC6A2 3636/4885

“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.