SCHEMBL4716895

SCHEMBL4716895

Cc1ccc(S(=O)(=O)OCC(O)C(c2ccccc2)N2CCc3cc(NC(=O)c4cccc(Cl)c4)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.56
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
TP53 P04637 1/20 0.41
CPT1A P50416 1/20 0.41
CPT1B Q92523 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 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
SCHEMBL4716889 1.00 MAPT (0.56) MAPTPOLBMEN1KMT2ACYP1A2
SCHEMBL4716892 1.00 MAPT (0.56) MAPTPOLBMEN1KMT2ACYP1A2
SCHEMBL4715312 0.94 MAPT (0.54) MAPTPOLBMEN1KMT2ATP53
SCHEMBL4715314 0.94 MAPT (0.54) MAPTPOLBMEN1KMT2ATP53
SCHEMBL4716209 0.93 MAPT (0.46) MAPTPOLBMEN1KMT2ASLC6A2
SCHEMBL4716212 0.93 MAPT (0.46) MAPTPOLBMEN1KMT2ASLC6A2
SCHEMBL4716205 0.93 MAPT (0.46) MAPTPOLBMEN1KMT2ASLC6A2
SCHEMBL4715408 0.85 MAPT (0.49) MAPTMEN1KMT2ASLC6A2SLC6A4
SCHEMBL4719760 0.83 SLC6A2 (0.45) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4719765 0.83 SLC6A2 (0.45) MAPTMEN1KMT2ACYP1A2CYP3A4

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 MAPT 1848/4885POLB 1215/4885MEN1 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.