SCHEMBL4078901

SCHEMBL4078901

O=C1N([C@@H](c2ccccc2)[C@H](O)CO)c2c(F)cccc2C12CCCCC2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.44
SLC6A4 P31645 12/20 0.44
SLC6A3 Q01959 4/20 0.41
KMT2A Q03164 1/20 0.34
PDE7A Q13946 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL5484253 0.91 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL4718035 0.90 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL4084744 0.88 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL13888900 0.88 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL4086051 0.88 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL4718486 0.88 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4080054 0.87 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL4080539 0.85 SLC6A4 (0.56) SLC6A2SLC6A4OPRM1OPRK1OPRL1
SCHEMBL4080079 0.84 SLC6A4 (0.55) SLC6A2SLC6A4OPRM1OPRK1OPRL1
SCHEMBL4763037 0.84 SLC6A2 (0.48) SLC6A2SLC6A4OPRM1OPRK1OPRL1

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 SLC6A2 8/4885SLC6A4 13/4885SLC6A3 16/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC6A2 8/4885SLC6A4 13/4885SLC6A3 16/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A2 8/4885SLC6A4 13/4885SLC6A3 16/4885

“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.