SCHEMBL5487445

SCHEMBL5487445

O=C1N([C@@H](c2ccccc2)[C@H](O)CO)c2ccc(Cl)cc2C12CCCCC2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 2/20 0.46
SLC6A4 P31645 5/20 0.44
SLC6A2 P23975 5/20 0.44
PTGDR2 Q9Y5Y4 4/20 0.39
C5AR1 P21730 1/20 0.38
PGR P06401 2/20 0.37
MDM2 Q00987 2/20 0.35
TP53 P04637 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
SCHEMBL4761229 0.88 SLC6A2 (0.50) KCNK2SLC6A4SLC6A2
SCHEMBL4717810 0.88 SLC6A2 (0.50) KCNK2SLC6A4SLC6A2
SCHEMBL4078606 0.88 SLC6A4 (0.44) KCNK2SLC6A4SLC6A2TP53
SCHEMBL4763037 0.88 SLC6A2 (0.48) SLC6A4SLC6A2PTGDR2
Hydrochloric Acid SCHEMBL5481020 0.87 SLC6A2 (0.49) KCNK2SLC6A4SLC6A2
SCHEMBL4080539 0.87 SLC6A4 (0.56) SLC6A4SLC6A2C5AR1
SCHEMBL4080079 0.86 SLC6A4 (0.55) SLC6A4SLC6A2C5AR1
SCHEMBL4718299 0.85 SLC6A2 (0.44) SLC6A4SLC6A2PTGDR2
SCHEMBL4717986 0.85 SLC6A4 (0.42) SLC6A4SLC6A2PGR
SCHEMBL4086791 0.83 SLC6A4 (0.52) SLC6A4SLC6A2C5AR1

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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use COMT, PNMT, GLS KCNK2 1792/4885SLC6A4 16/4885SLC6A2 8/4885

“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.