SCHEMBL2599573

SCHEMBL2599573

CC1NCCOC1(OC(=O)/C=C/C(=O)OC1(c2cccc(F)c2)OCCNC1C)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 2/20 0.42
CHRNA1 P02708 2/20 0.42
CHRNB1 P11230 2/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
SLC6A3 Q01959 2/20 0.42
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
CCR2 P41597 1/20 0.36
HSD11B1 P28845 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HCAR2 Q8TDS4 2/20 0.34
ALDH1A1 P00352 3/20 0.33
CHRNG P07510 1/20 0.32

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
SCHEMBL2599505 0.87 CHRNA1 (0.42) SLC6A2SLC6A4CHRNA1CHRNB1CHRNB2
SCHEMBL2599547 0.86 L3MBTL1 (0.36) SLC6A2CHRNA1CHRNB1CHRNB2CHRNB4
Fumaric Acid SCHEMBL2599572 0.77 SLC6A2 (0.52) SLC6A2SLC6A4CHRNA1CHRNB1CHRNB2
Fumaric Acid SCHEMBL2599574 0.77 SLC6A2 (0.52) SLC6A2SLC6A4CHRNA1CHRNB1CHRNB2
SCHEMBL12186375 0.76 CHRNB2 (0.61) SLC6A2SLC6A4CHRNA1CHRNB1CHRNB2
SCHEMBL2599552 0.76 CHRNB2 (0.61) SLC6A2SLC6A4CHRNA1CHRNB1CHRNB2
SCHEMBL18723015 0.73 SLC6A3 (0.51) SLC6A2SLC6A4CHRNA1CHRNB1CHRNB2
SCHEMBL5448764 0.68 CHRNB2 (0.61) SLC6A2SLC6A4CHRNA1CHRNB1CHRNB2
SCHEMBL12657888 0.66 CHRNB2 (0.58) SLC6A2SLC6A4CHRNA1CHRNB1CHRNB2
Fumaric Acid SCHEMBL2599548 0.65 SLC6A2 (0.47) SLC6A2SLC6A4CHRNA1CHRNB1CHRNB2

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
EP-2571858-B1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RES TRIANGLE INST (US) 2018-06-20 EP disclosed
US-9617229-B2 Phenylmorpholines and analogues thereof RESEARCH TRIANGLE INSTITUTE (US) 2017-04-11 US disclosed
US-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF NIH-DEITR 2013-08-08 US disclosed
EP-2571858-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF Research Triangle Institute (US) 2013-03-27 EP disclosed
WO-2011146850-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2011-11-24 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-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF PNMT, OPRL1, OPRM1 SLC6A2 5/4885SLC6A4 6/4885CHRNA1 157/4885

“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.