SCHEMBL2599499

SCHEMBL2599499

CC1NCCOC1(O)c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 19/20 0.61
SLC6A2 P23975 19/20 0.61
CHRNB4 P30926 19/20 0.61
CHRNA3 P32297 19/20 0.61
CHRNA4 P43681 19/20 0.61
SLC6A3 Q01959 19/20 0.61
CHRNA1 P02708 18/20 0.61
CHRNB1 P11230 18/20 0.61
CHRNG P07510 15/20 0.61
CHRND Q07001 15/20 0.61
SLC6A4 P31645 12/20 0.61
BACE1 P56817 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
Fumaric Acid SCHEMBL2599506 0.90 CHRNB2 (0.52) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Fumaric Acid SCHEMBL2599504 0.90 CHRNB2 (0.52) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL12186459 0.85 CHRNB2 (0.59) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL2599498 0.85 CHRNB2 (0.59) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL12186375 0.83 CHRNB2 (0.61) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL18722871 0.83 SLC6A2 (0.51) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL2599552 0.83 CHRNB2 (0.61) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL2599510 0.82 SLC6A2 (0.55) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL2599138 0.76 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL13014841 0.76 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF NIH-DEITR 2013-08-08 US claimed
EP-2571858-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF Research Triangle Institute (US) 2013-03-27 EP claimed
WO-2011146850-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2011-11-24 WO claimed
EP-2571858-B1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RES TRIANGLE INST (US) 2018-06-20 EP disclosed
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-9617229-B2 Phenylmorpholines and analogues thereof RESEARCH TRIANGLE INSTITUTE (US) 2017-04-11 US 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
US-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF NIH-DEITR 2013-08-08 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
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 CHRNB2 168/4885SLC6A2 5/4885CHRNB4 100/4885

“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.