SCHEMBL2599510

SCHEMBL2599510

CC1NCCOC1(O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.55
CHRNB2 P17787 15/20 0.55
CHRNB4 P30926 15/20 0.55
CHRNA3 P32297 15/20 0.55
CHRNA4 P43681 15/20 0.55
SLC6A3 Q01959 14/20 0.55
CHRNA1 P02708 14/20 0.47
CHRNB1 P11230 14/20 0.47
CHRNG P07510 13/20 0.47
CHRND Q07001 13/20 0.47
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A4 P31645 6/20 0.39
CYP1A2 P05177 1/20 0.38
TACR1 P25103 1/20 0.35

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 SCHEMBL2599548 0.90 SLC6A2 (0.47) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
Fumaric Acid SCHEMBL2599546 0.90 SLC6A2 (0.47) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12186459 0.84 CHRNB2 (0.59) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2599498 0.84 CHRNB2 (0.59) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12186375 0.82 CHRNB2 (0.61) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2599499 0.82 CHRNB2 (0.61) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2599552 0.82 CHRNB2 (0.61) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5323083 0.79 SLC6A2 (0.44) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12657888 0.79 CHRNB2 (0.58) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5385861 0.78 SLC6A2 (0.40) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4

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 SLC6A2 5/4885CHRNB2 168/4885CHRNB4 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.