SCHEMBL4718111

SCHEMBL4718111

CC1(C)C(=O)N([C@@H](c2cc(F)cc(Cl)c2)[C@H](O)CO)c2c(F)cccc21

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.64
SLC6A4 P31645 11/20 0.53
SLC6A3 Q01959 4/20 0.39
MDM2 Q00987 4/20 0.33
TP53 P04637 2/20 0.33
STING1 Q86WV6 1/20 0.33
METAP2 P50579 2/20 0.32

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
SCHEMBL4715534 0.94 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL4756457 0.94 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL4716020 0.90 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3
SCHEMBL4716023 0.90 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3
SCHEMBL4716987 0.90 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3
SCHEMBL8426605 0.90 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3
SCHEMBL4718557 0.90 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3MDM2TP53
Hydrochloric Acid SCHEMBL4717974 0.89 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4717975 0.89 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3
SCHEMBL4077045 0.89 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3

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 16/4885SLC6A3 4/4885

“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.