SCHEMBL4718477

SCHEMBL4718477

CNCC(O)C(c1ccccc1)N1C(=O)C(C)(C)c2cc(OCc3ccccc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.53
SLC6A4 P31645 13/20 0.53
CARM1 Q86X55 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BCHE P06276 1/20 0.41
SLC6A3 Q01959 2/20 0.40

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
SCHEMBL4716907 1.00 SLC6A2 (0.53) SLC6A2SLC6A4CARM1MEN1KMT2A
SCHEMBL4716900 1.00 SLC6A2 (0.53) SLC6A2SLC6A4CARM1MEN1KMT2A
Hydrochloric Acid SCHEMBL5478834 0.99 SLC6A2 (0.53) SLC6A2SLC6A4CARM1MEN1KMT2A
Hydrochloric Acid SCHEMBL5478837 0.99 SLC6A2 (0.53) SLC6A2SLC6A4CARM1MEN1KMT2A
SCHEMBL4720800 0.89 SLC6A4 (0.41) SLC6A2SLC6A4MEN1KMT2ABCHE
SCHEMBL5476561 0.87 SLC6A2 (0.51) SLC6A2SLC6A4CARM1MEN1KMT2A
SCHEMBL5478582 0.87 SLC6A2 (0.51) SLC6A2SLC6A4CARM1MEN1KMT2A
Hydrochloric Acid SCHEMBL5480613 0.86 SLC6A2 (0.52) SLC6A2SLC6A4CARM1MEN1KMT2A
SCHEMBL14302913 0.82 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL4084035 0.82 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101309904-A 1- (1H-indol-1-yl) -3- (methylamino) -1-phenylpropan-2-ol derivatives and related compounds as monoamine reuptake modulators for the treatment of vasomotor symptoms (VMS) WYETH CORP (US) 2008-11-19 CN claimed
EP-1931631-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 a Corporation of the State of Delaware (US) 2008-06-18 EP claimed
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 claimed
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 US claimed
CN-101309904-A 1- (1H-indol-1-yl) -3- (methylamino) -1-phenylpropan-2-ol derivatives and related compounds as monoamine reuptake modulators for the treatment of vasomotor symptoms (VMS) WYETH CORP (US) 2008-11-19 CN disclosed
EP-1931631-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 a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
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

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 16/4885CARM1 4399/4885

“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.