SCHEMBL2599547

SCHEMBL2599547

CC1NCCOC1(OC(=O)/C=C/C(=O)OC1(c2ccccc2)OCCNC1C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 2/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
OPRM1 P35372 4/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
GAA P10253 2/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CYP1A2 P05177 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
TSHR P16473 1/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
CHRNA1 P02708 1/20 0.30

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 0.86 CHRNA1 (0.42) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL2599573 0.86 SLC6A2 (0.42) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
Fumaric Acid SCHEMBL2599548 0.75 SLC6A2 (0.47) L3MBTL1SLC6A2SLC6A3CHRNB2CHRNB4
Fumaric Acid SCHEMBL2599546 0.75 SLC6A2 (0.47) L3MBTL1SLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL5385861 0.72 SLC6A2 (0.40) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL2599510 0.71 SLC6A2 (0.55) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL5323083 0.68 SLC6A2 (0.44) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL28048218 0.67 SLC6A2 (0.33) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL5448764 0.66 CHRNB2 (0.61) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
Fumaric Acid SCHEMBL2599572 0.66 SLC6A2 (0.52) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3

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 L3MBTL1 1447/4885SLC6A2 5/4885SLC6A3 8/4885

“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.