SCHEMBL2792852

SCHEMBL2792852

OC1CN(Cc2ccccc2)CC1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.63
SLC18A3 Q16572 7/20 0.63
SIGMAR1 Q99720 2/20 0.56
GBA1 P04062 1/20 0.54
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
SCHEMBL13229582 1.00 FUCA1 (0.63) FUCA1SLC18A3SIGMAR1GBA1ALDH1A1
SCHEMBL13229733 0.91 SLC18A3 (0.57) FUCA1SLC18A3SIGMAR1GBA1ALDH1A1
SCHEMBL2794440 0.91 SLC18A3 (0.57) FUCA1SLC18A3SIGMAR1GBA1ALDH1A1
SCHEMBL2794481 0.90 SLC18A3 (0.59) FUCA1SLC18A3SIGMAR1GBA1
SCHEMBL13229601 0.90 SLC18A3 (0.59) FUCA1SLC18A3SIGMAR1GBA1
SCHEMBL13229630 0.89 FUCA1 (0.61) FUCA1SLC18A3SIGMAR1GBA1ALDH1A1
SCHEMBL14385505 0.89 SLC18A3 (0.55) FUCA1SLC18A3GBA1ALDH1A1
SCHEMBL13229584 0.88 SLC18A3 (0.81) FUCA1SLC18A3GBA1
SCHEMBL2791859 0.88 SLC18A3 (0.81) FUCA1SLC18A3GBA1
SCHEMBL2797051 0.88 SIGMAR1 (0.66) FUCA1SLC18A3SIGMAR1

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 8 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
EP-1849781-A1 Substituted 3-Amino-4-hydroxy pyrrolidines compounds, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2007-10-31 EP 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
EP-1849781-A1 Substituted 3-Amino-4-hydroxy pyrrolidines compounds, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2007-10-31 EP 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 FUCA1 3203/4885SLC18A3 1740/4885SIGMAR1 1626/4885

“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.