SCHEMBL4829654

SCHEMBL4829654

O=C(Nc1ccc2c(ccn2[C@@H](c2ccccc2)[C@H](O)CO)c1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.50
LMNA P02545 1/20 0.47
SLC6A2 P23975 8/20 0.45
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
NPY2R P49146 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL4718508 0.90 SLC6A4 (0.59) SLC6A4SLC6A2
SCHEMBL5480121 0.90 SLC6A4 (0.59) SLC6A4SLC6A2
SCHEMBL5480127 0.90 SLC6A4 (0.59) SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5476585 0.89 SLC6A4 (0.58) SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5476579 0.89 SLC6A4 (0.58) SLC6A4SLC6A2
SCHEMBL4720465 0.84 ENPP3 (0.47) SLC6A4LMNASLC6A2POLB
SCHEMBL4720462 0.84 ENPP3 (0.47) SLC6A4LMNASLC6A2POLB
SCHEMBL4717350 0.82 SLC6A4 (0.49) SLC6A4SLC6A2KCNK3KCNK9SMN1; SMN2
SCHEMBL4716255 0.78 NPY2R (0.47) SLC6A4LMNASLC6A2HPGDPOLB
SCHEMBL4761701 0.76 SLC6A2 (0.53) SLC6A4SLC6A2KCNK3KCNK9SMN1; SMN2

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 16/4885LMNA 2893/4885SLC6A2 8/4885

“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.