SCHEMBL4080079

SCHEMBL4080079

O=C1N([C@@H](c2ccccc2)[C@H](O)CO)c2ccccc2C12CCCC2

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.55
SLC6A2 P23975 9/20 0.55
OPRL1 P41146 4/20 0.39
EGLN1 Q9GZT9 2/20 0.38
OPRM1 P35372 2/20 0.36
C5AR1 P21730 1/20 0.35
OPRK1 P41145 1/20 0.34

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
SCHEMBL4080539 0.99 SLC6A4 (0.56) SLC6A4SLC6A2OPRL1EGLN1OPRM1
SCHEMBL4086791 0.98 SLC6A4 (0.52) SLC6A4SLC6A2OPRL1EGLN1OPRM1
SCHEMBL4087399 0.95 SLC6A4 (0.48) SLC6A4SLC6A2OPRL1EGLN1OPRM1
SCHEMBL13888898 0.86 SLC6A2 (0.62) SLC6A4SLC6A2
SCHEMBL4087470 0.86 SLC6A2 (0.62) SLC6A4SLC6A2
SCHEMBL4087083 0.86 SLC6A2 (0.62) SLC6A4SLC6A2
SCHEMBL4763037 0.86 SLC6A2 (0.48) SLC6A4SLC6A2OPRL1OPRM1OPRK1
SCHEMBL5487445 0.86 KCNK2 (0.46) SLC6A4SLC6A2C5AR1
SCHEMBL4078606 0.86 SLC6A4 (0.44) SLC6A4SLC6A2EGLN1
SCHEMBL4718968 0.86 SLC6A2 (0.48) SLC6A4SLC6A2OPRL1OPRM1OPRK1

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 7 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
EP-1732887-A1 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 (US) 2006-12-20 EP disclosed
WO-2005097744-A1 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 (US) 2005-10-20 WO 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 8/4885OPRL1 93/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC6A4 13/4885SLC6A2 8/4885OPRL1 93/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A4 13/4885SLC6A2 8/4885OPRL1 93/4885

“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.