SCHEMBL4718404

SCHEMBL4718404

O[C@H](CN1CCCC1)[C@H](c1ccccc1)n1ccc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.52
SLC6A2 P23975 7/20 0.52
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
ABCB1 P08183 2/20 0.43
HTR7 P34969 1/20 0.43
LTA4H P09960 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
HTT P42858 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
SCHEMBL4719528 1.00 SLC6A4 (0.52) SLC6A4SLC6A2TSHRRAB9AHSD17B10
SCHEMBL4761402 0.99 RAB9A (0.52) SLC6A4SLC6A2TSHRRAB9AHSD17B10
Hydrochloric Acid SCHEMBL5473634 0.99 SLC6A4 (0.51) SLC6A4SLC6A2TSHRRAB9AHSD17B10
SCHEMBL4718066 0.99 RAB9A (0.52) SLC6A4SLC6A2TSHRRAB9AHSD17B10
Hydrochloric Acid SCHEMBL4715475 0.98 RAB9A (0.51) SLC6A4SLC6A2TSHRRAB9AHSD17B10
SCHEMBL8241841 0.91 SLC6A2 (0.52) SLC6A4SLC6A2RAB9AGAAKMT2A
Hydrochloric Acid SCHEMBL4718262 0.91 SLC6A2 (0.51) SLC6A4SLC6A2RAB9AGAAKMT2A
Hydrochloric Acid SCHEMBL4718623 0.91 SLC6A2 (0.51) SLC6A4SLC6A2RAB9AGAAKMT2A
SCHEMBL4719022 0.85 SLC6A4 (0.57) SLC6A4SLC6A2RAB9AKMT2A
SCHEMBL4716627 0.84 SLC6A4 (0.62) SLC6A4SLC6A2RAB9AKMT2A

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 6 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
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
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 US 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 8/4885TSHR 2990/4885

“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.