SCHEMBL4717815

SCHEMBL4717815

O=C(Nc1ccc2c(c1)CCN2[C@@H](c1ccccc1)[C@H](O)CO)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
SLC6A2 P23975 4/20 0.48
SLC6A4 P31645 4/20 0.48
TMPRSS2 O15393 1/20 0.47
TP53 P04637 3/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
LMNA P02545 1/20 0.46
CHRM1 P11229 1/20 0.45
HSD17B3 P37058 1/20 0.43
ROCK2 O75116 4/20 0.43
ROCK1 Q13464 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4715408 0.92 MAPT (0.49) RAB9ASLC6A2SLC6A4NPC1MAPT
SCHEMBL5480503 0.89 SLC6A2 (0.65) RAB9ASLC6A2SLC6A4TMPRSS2TP53
SCHEMBL5480498 0.89 SLC6A2 (0.65) RAB9ASLC6A2SLC6A4TMPRSS2TP53
SCHEMBL4717685 0.89 SLC6A2 (0.65) RAB9ASLC6A2SLC6A4TMPRSS2TP53
Hydrochloric Acid SCHEMBL5475867 0.88 SLC6A2 (0.66) RAB9ASLC6A2SLC6A4TMPRSS2TP53
Hydrochloric Acid SCHEMBL5475860 0.88 SLC6A2 (0.66) RAB9ASLC6A2SLC6A4TMPRSS2TP53
SCHEMBL4717514 0.88 MAPT (0.47) RAB9ASLC6A2SLC6A4TP53NPC1
SCHEMBL4719339 0.86 MAPT (0.58) RAB9ASLC6A2SLC6A4TP53NPC1
SCHEMBL4716255 0.83 NPY2R (0.47) SLC6A2SLC6A4MAPTSMN1; SMN2GAA
SCHEMBL4716205 0.83 MAPT (0.46) RAB9ASLC6A2SLC6A4TP53NPC1

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 RAB9A 2205/4885SLC6A2 8/4885SLC6A4 16/4885

“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.