SCHEMBL2790937

SCHEMBL2790937

COc1ccccc1N1CCN(C2CN(Cc3ccccc3)CC2O)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
SLC18A3 Q16572 2/20 0.55
DRD4 P21917 3/20 0.54
HTR7 P34969 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
POLB P06746 1/20 0.51
DRD2 P14416 3/20 0.50
DRD3 P35462 2/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL13229736 1.00 MAPK1 (0.55) MAPK1SLC18A3DRD4HTR7MEN1
SCHEMBL2790387 0.84 SLC18A3 (0.60) SLC18A3DRD4HTR7DRD2DRD3
SCHEMBL2793757 0.84 SLC18A3 (0.60) SLC18A3DRD4HTR7DRD2DRD3
SCHEMBL8186075 0.84 MEN1 (0.64) MAPK1DRD4HTR7MEN1KMT2A
SCHEMBL2792992 0.84 SLC18A3 (0.60) SLC18A3DRD4HTR7DRD2DRD3
SCHEMBL13229584 0.80 SLC18A3 (0.81) SLC18A3DRD4DRD2DRD3
SCHEMBL2791859 0.80 SLC18A3 (0.81) SLC18A3DRD4DRD2DRD3
SCHEMBL2792852 0.80 FUCA1 (0.63) SLC18A3ALDH1A1
SCHEMBL9225440 0.80 MAPK1 (0.81) MAPK1DRD4HTR7ADRA1DADRA1A
SCHEMBL13229582 0.80 FUCA1 (0.63) SLC18A3ALDH1A1

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
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 claimed
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
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 MAPK1 4378/4885SLC18A3 1740/4885DRD4 359/4885

“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.