SCHEMBL5452511

SCHEMBL5452511

[2H]C([2H])(N)C[C@H](O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.52
AOC3 Q16853 5/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH1 P35367 2/20 0.46
HTR2A P28223 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
BCAT2 O15382 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL10237031 1.00 RIPK1 (0.52) RIPK1AOC3LMNAKDM4EL3MBTL1
SCHEMBL42066 0.82 HRH1 (0.62) RIPK1AOC3LMNAKDM4EL3MBTL1
SCHEMBL232834 0.82 HRH1 (0.62) RIPK1AOC3LMNAKDM4EL3MBTL1
SCHEMBL3179795 0.82 HRH1 (0.62) RIPK1AOC3LMNAKDM4EL3MBTL1
SCHEMBL5185803 0.81 RIPK1 (0.64) RIPK1AOC3LMNAKDM4EL3MBTL1
SCHEMBL3081755 0.81 RIPK1 (0.64) RIPK1AOC3LMNAKDM4EL3MBTL1
SCHEMBL2157996 0.80 CPN1 (0.44) AOC3LMNAKDM4ETAAR1SLC6A2
Hydrochloric Acid SCHEMBL4374172 0.80 HRH1 (0.60) RIPK1AOC3LMNAKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL16032107 0.80 HRH1 (0.60) RIPK1AOC3LMNAKDM4EL3MBTL1
SCHEMBL7417534 0.80 HRH1 (0.68) RIPK1AOC3LMNAKDM4EL3MBTL1

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-20070032555-A1 Novel aryloxyphenyl-propanamines CONCERT PHARMACEUTICALS INC. (US) 2007-02-08 US 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-20070032555-A1 Novel aryloxyphenyl-propanamines SLC6A2, SLC6A3, SLC18A1 RIPK1 4858/4885AOC3 306/4885LMNA 4217/4885

“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.