SCHEMBL2793757

SCHEMBL2793757

O[C@H]1CN(Cc2ccccc2)C[C@@H]1N1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 6/20 0.60
FUCA1 P04066 2/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
HTR7 P34969 1/20 0.49
GBA1 P04062 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PLA2G1B P04054 1/20 0.46
RAB9A P51151 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
HTR1A P08908 1/20 0.45

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
SCHEMBL2792992 1.00 SLC18A3 (0.60) SLC18A3FUCA1DRD2DRD4DRD3
SCHEMBL2790387 1.00 SLC18A3 (0.60) SLC18A3FUCA1DRD2DRD4DRD3
SCHEMBL2791859 0.85 SLC18A3 (0.81) SLC18A3FUCA1DRD2DRD4DRD3
SCHEMBL13229584 0.85 SLC18A3 (0.81) SLC18A3FUCA1DRD2DRD4DRD3
SCHEMBL2792852 0.85 FUCA1 (0.63) SLC18A3FUCA1GBA1ALDH1A1
SCHEMBL13229582 0.85 FUCA1 (0.63) SLC18A3FUCA1GBA1ALDH1A1
SCHEMBL13229736 0.84 MAPK1 (0.55) SLC18A3DRD2DRD4DRD3HTR7
SCHEMBL2790937 0.84 MAPK1 (0.55) SLC18A3DRD2DRD4DRD3HTR7
SCHEMBL13229744 0.83 SLC18A3 (0.62) SLC18A3FUCA1DRD2DRD4DRD3
SCHEMBL2795830 0.83 SLC18A3 (0.62) SLC18A3FUCA1DRD2DRD4DRD3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029571-A1 SUBSTITUTED 3 -AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-03-04 EP claimed
WO-2007128460-A1 SUBSTITUTED 3 -AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-15 WO claimed
US-20100168093-A1 SUBSTITUTED 3-AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIES DE DR. ESTEVE, S.A. (ES) 2010-07-01 US disclosed
US-20100168093-A1 SUBSTITUTED 3-AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIES DE DR. ESTEVE, S.A. (ES) 2010-07-01 US disclosed
US-20100168093-A1 SUBSTITUTED 3-AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIES DE DR. ESTEVE, S.A. (ES) 2010-07-01 US disclosed
EP-2029571-A1 SUBSTITUTED 3 -AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-03-04 EP disclosed
WO-2007128460-A1 SUBSTITUTED 3 -AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-15 WO 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-20100168093-A1 SUBSTITUTED 3-AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS PAH, HMBS, P4HA1 SLC18A3 1740/4885FUCA1 3203/4885DRD2 1033/4885

“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.