SCHEMBL4091769

SCHEMBL4091769

Cc1cn([C@@H](c2ccccc2F)[C@H](O)CO)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.53
SLC6A4 P31645 9/20 0.53
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.33
CYP3A4 P08684 1/20 0.33
PRMT5 O14744 1/20 0.33
BACE1 P56817 2/20 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
SCHEMBL4080110 0.82 SLC6A2 (0.63) SLC6A2SLC6A4MEN1KMT2A
SCHEMBL4090433 0.81 SLC6A2 (0.78) SLC6A2SLC6A4MEN1KMT2ABACE1
SCHEMBL4084074 0.81 SLC6A2 (0.78) SLC6A2SLC6A4MEN1KMT2ABACE1
SCHEMBL4084743 0.79 SLC6A2 (0.78) SLC6A2SLC6A4
SCHEMBL4084070 0.75 SLC6A4 (0.73) SLC6A2SLC6A4
SCHEMBL4077214 0.73 SLC6A2 (0.52) SLC6A2SLC6A4
SCHEMBL5728779 0.73 SLC6A2 (0.52) SLC6A2SLC6A4
SCHEMBL4080739 0.72 SLC6A2 (0.57) SLC6A2SLC6A4
SCHEMBL4077185 0.69 SLC6A2 (1.00) SLC6A2SLC6A4MEN1KMT2AIDO1
SCHEMBL4077357 0.69 SLC6A2 (1.00) SLC6A2SLC6A4MEN1KMT2AIDO1

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 13/4885MEN1 2681/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC6A2 8/4885SLC6A4 13/4885MEN1 2681/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A2 8/4885SLC6A4 13/4885MEN1 2681/4885

“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.