SCHEMBL5456540

SCHEMBL5456540

C[C@@H]1NC(C)(C)CO[C@@]1(OC(=O)C(O)C(O)C(=O)O[C@@]1(c2cccc(Cl)c2)OCC(C)(C)N[C@H]1C)c1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 20/20 0.60
SLC6A2 P23975 20/20 0.60
CHRNB4 P30926 20/20 0.60
CHRNA3 P32297 20/20 0.60
CHRNA4 P43681 20/20 0.60
SLC6A3 Q01959 20/20 0.60
CHRNA1 P02708 19/20 0.60
CHRNB1 P11230 19/20 0.60
CHRNG P07510 16/20 0.60
CHRND Q07001 16/20 0.60
SLC6A4 P31645 12/20 0.60

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
SCHEMBL5448764 0.86 CHRNB2 (0.61) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL5456094 0.81 CHRNB2 (0.62) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL5460442 0.79 CHRNB2 (0.60) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL5456533 0.79 CHRNB2 (0.82) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL5454759 0.79 CHRNB2 (0.52) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL2599138 0.75 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL3453734 0.75 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL5478077 0.75 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL48964 0.75 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Radafaxine SCHEMBL13014841 0.75 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032535-A1 Diastereomeric dynamic kinetic resolution process for preparing (+)-(2s,3s)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol, salts, and solvates thereof Smith Kline Beecham Corporation D/b/a Glaxo Smith Kline (US) 2007-02-08 US claimed

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-20070032535-A1 Diastereomeric dynamic kinetic resolution process for preparing (+)-(2s,3s)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol, salts, and solvates thereof METTL3, TPMT, MTAP CHRNB2 2457/4885SLC6A2 236/4885CHRNB4 2932/4885

“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.