SCHEMBL4078606

SCHEMBL4078606

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 2/20 0.44
KCNK2 O95069 2/20 0.38
EGLN1 Q9GZT9 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 4/20 0.33
TP53 P04637 4/20 0.33
LMNA P02545 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
SLC18A3 Q16572 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL4081447 0.88 SLC6A2 (0.50) SLC6A4SLC6A2KCNK2
SCHEMBL4081165 0.88 SLC6A2 (0.50) SLC6A4SLC6A2KCNK2
SCHEMBL13889037 0.88 SLC6A2 (0.50) SLC6A4SLC6A2KCNK2
SCHEMBL5487445 0.88 KCNK2 (0.46) SLC6A4SLC6A2KCNK2TP53
SCHEMBL4763037 0.88 SLC6A2 (0.48) SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL4078938 0.87 SLC6A2 (0.49) SLC6A4SLC6A2
SCHEMBL4080539 0.87 SLC6A4 (0.56) SLC6A4SLC6A2EGLN1
SCHEMBL4080079 0.86 SLC6A4 (0.55) SLC6A4SLC6A2EGLN1
SCHEMBL4717986 0.85 SLC6A4 (0.42) SLC6A4SLC6A2EGLN1
SCHEMBL4718299 0.85 SLC6A2 (0.44) SLC6A4SLC6A2KMT2AMEN1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-16 US disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
EP-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 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 (3 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-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A4 13/4885SLC6A2 8/4885KCNK2 2570/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC6A4 13/4885SLC6A2 8/4885KCNK2 2570/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A4 13/4885SLC6A2 8/4885KCNK2 2570/4885

“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.