SCHEMBL5480593

SCHEMBL5480593

CNC[C@H](O)[C@H](c1ccccc1)N1C(=O)C2(CCCCC2)c2ccc(C#N)cc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.48
SLC6A4 P31645 11/20 0.48
PGR P06401 1/20 0.38
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL5478542 1.00 SLC6A2 (0.48) SLC6A2SLC6A4PGRSLC6A3
SCHEMBL5480590 1.00 SLC6A2 (0.48) SLC6A2SLC6A4PGRSLC6A3
Hydrochloric Acid SCHEMBL5483591 0.99 SLC6A2 (0.47) SLC6A2SLC6A4PGRSLC6A3
Hydrochloric Acid SCHEMBL5483600 0.99 SLC6A2 (0.47) SLC6A2SLC6A4PGRSLC6A3
SCHEMBL5473815 0.93 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL5475788 0.93 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL5475784 0.93 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5480985 0.92 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5480987 0.92 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL4716649 0.89 SLC6A4 (0.42) SLC6A2SLC6A4PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007041023-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2007-04-12 WO disclosed
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 US disclosed
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 SLC6A2 8/4885SLC6A4 16/4885PGR 230/4885

“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.