SCHEMBL4718299

SCHEMBL4718299

COc1ccc2c(c1)C1(CCCCC1)C(=O)N2[C@@H](c1ccccc1)[C@H](O)CO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.44
SLC6A4 P31645 4/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALK Q9UM73 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PDE7A Q13946 1/20 0.36
OPRL1 P41146 3/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL5478407 0.92 SLC6A4 (0.44) SLC6A2SLC6A4MEN1KMT2AALK
SCHEMBL5476842 0.90 SLC6A2 (0.48) SLC6A2SLC6A4
SCHEMBL5482963 0.90 SLC6A2 (0.48) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5477757 0.89 SLC6A2 (0.48) SLC6A2SLC6A4
SCHEMBL5487450 0.88 SLC6A4 (0.40) SLC6A2SLC6A4MEN1KMT2AALK
SCHEMBL5487445 0.85 KCNK2 (0.46) SLC6A2SLC6A4PTGDR2
SCHEMBL4763037 0.85 SLC6A2 (0.48) SLC6A2SLC6A4PTGDR2OPRL1OPRM1
SCHEMBL4078606 0.85 SLC6A4 (0.44) SLC6A2SLC6A4MEN1KMT2ALMNA
SCHEMBL4080539 0.84 SLC6A4 (0.56) SLC6A2SLC6A4OPRL1OPRM1OPRK1
SCHEMBL4080079 0.83 SLC6A4 (0.55) SLC6A2SLC6A4OPRL1OPRM1OPRK1

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 SLC6A2 8/4885SLC6A4 16/4885MEN1 3735/4885

“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.