SCHEMBL2599498

SCHEMBL2599498

Cc1cccc(C2(O)OCCNC2C)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.59
SLC6A2 P23975 14/20 0.59
CHRNB4 P30926 14/20 0.59
CHRNA3 P32297 14/20 0.59
CHRNA4 P43681 14/20 0.59
SLC6A3 Q01959 14/20 0.59
CHRNA1 P02708 13/20 0.59
CHRNB1 P11230 13/20 0.59
CHRNG P07510 12/20 0.59
CHRND Q07001 12/20 0.59
SLC6A4 P31645 7/20 0.44
CCR2 P41597 1/20 0.37
MEN1 O00255 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2C P28335 1/20 0.35
HDAC4 P56524 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
SCHEMBL12186459 1.00 CHRNB2 (0.59) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL2599499 0.85 CHRNB2 (0.61) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL2599552 0.85 CHRNB2 (0.61) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL12186375 0.85 CHRNB2 (0.61) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL2599510 0.84 SLC6A2 (0.55) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL18722932 0.82 CHRNB2 (0.49) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Fumaric Acid SCHEMBL2599574 0.77 SLC6A2 (0.52) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Fumaric Acid SCHEMBL2599504 0.77 CHRNB2 (0.52) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Fumaric Acid SCHEMBL2599572 0.77 SLC6A2 (0.52) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Fumaric Acid SCHEMBL2599506 0.77 CHRNB2 (0.52) 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 8 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
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 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.