SCHEMBL4720800

SCHEMBL4720800

CC1(C)C(=O)N([C@@H](c2ccccc2)[C@H](O)CO)c2ccc(OCc3ccccc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
FSHR P23945 1/20 0.38
BCHE P06276 1/20 0.38
MAOB P27338 5/20 0.38
MAOA P21397 3/20 0.38
TP53 P04637 1/20 0.37
GSTP1 P09211 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 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
SCHEMBL4716900 0.89 SLC6A2 (0.53) SLC6A4SLC6A2KMT2AMEN1BCHE
SCHEMBL4718477 0.89 SLC6A2 (0.53) SLC6A4SLC6A2KMT2AMEN1BCHE
SCHEMBL4716907 0.89 SLC6A2 (0.53) SLC6A4SLC6A2KMT2AMEN1BCHE
Hydrochloric Acid SCHEMBL5478837 0.89 SLC6A2 (0.53) SLC6A4SLC6A2KMT2AMEN1BCHE
Hydrochloric Acid SCHEMBL5478834 0.89 SLC6A2 (0.53) SLC6A4SLC6A2KMT2AMEN1BCHE
SCHEMBL5487450 0.85 SLC6A4 (0.40) SLC6A4SLC6A2KMT2AMEN1SMN1; SMN2
SCHEMBL4078999 0.81 SLC6A2 (0.42) SLC6A4SLC6A2
SCHEMBL4081234 0.81 SLC6A4 (0.41) SLC6A4SLC6A2KMT2AMEN1TP53
SCHEMBL4079958 0.80 SLC6A2 (0.54) SLC6A4SLC6A2TP53
SCHEMBL5478582 0.76 SLC6A2 (0.51) SLC6A4SLC6A2KMT2AMEN1BCHE

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
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 SLC6A4 16/4885SLC6A2 8/4885KMT2A 1928/4885

“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.