SCHEMBL4716255

SCHEMBL4716255

O=C(Nc1ccc2c(c1)CCN2[C@@H](c1ccccc1)[C@H](O)CO)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.47
HPGD P15428 4/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
PTPN1 P18031 1/20 0.41
USP2 O75604 2/20 0.40
POLB P06746 1/20 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
SCHEMBL5480692 0.90 SLC6A2 (0.59) NPY2RHPGDLMNAALDH1A1TSHR
SCHEMBL5480697 0.90 SLC6A2 (0.59) NPY2RHPGDLMNAALDH1A1TSHR
SCHEMBL4716139 0.90 SLC6A2 (0.59) NPY2RHPGDLMNAALDH1A1TSHR
Hydrochloric Acid SCHEMBL5480319 0.89 SLC6A2 (0.60) NPY2RHPGDLMNAALDH1A1TSHR
Hydrochloric Acid SCHEMBL5480312 0.89 SLC6A2 (0.60) NPY2RHPGDLMNAALDH1A1TSHR
SCHEMBL4715910 0.89 NPY2R (0.48) NPY2RHPGDLMNAALDH1A1TSHR
SCHEMBL4715071 0.84 ENPP3 (0.49) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL4715066 0.84 ENPP3 (0.49) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL4715068 0.84 ENPP3 (0.49) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL4717815 0.83 RAB9A (0.52) LMNASLC6A2SLC6A4MEN1MAPT

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 NPY2R 216/4885HPGD 583/4885LMNA 2893/4885

“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.