SCHEMBL2599505

SCHEMBL2599505

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 8/20 0.42
CHRNB1 P11230 8/20 0.42
CHRNB2 P17787 8/20 0.42
SLC6A2 P23975 8/20 0.42
CHRNB4 P30926 8/20 0.42
CHRNA3 P32297 8/20 0.42
CHRNA4 P43681 8/20 0.42
SLC6A3 Q01959 8/20 0.42
CHRNG P07510 6/20 0.42
CHRND Q07001 6/20 0.42
SLC6A4 P31645 6/20 0.42
HSD11B1 P28845 1/20 0.35
HCAR2 Q8TDS4 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
XPO1 O14980 1/20 0.33
HCAR3 P49019 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL2599573 0.87 SLC6A2 (0.42) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL2599547 0.86 L3MBTL1 (0.36) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL5448764 0.81 CHRNB2 (0.61) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
Fumaric Acid SCHEMBL2599504 0.77 CHRNB2 (0.52) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
Fumaric Acid SCHEMBL2599506 0.77 CHRNB2 (0.52) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL2599499 0.76 CHRNB2 (0.61) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL18722871 0.73 SLC6A2 (0.51) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL5456540 0.67 CHRNB2 (0.60) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
Fumaric Acid SCHEMBL2599546 0.65 SLC6A2 (0.47) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
Fumaric Acid SCHEMBL2599548 0.65 SLC6A2 (0.47) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4

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 CHRNA1 157/4885CHRNB1 156/4885CHRNB2 168/4885

“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.