SCHEMBL13229588

SCHEMBL13229588

CCOC(=O)CN1CCN([C@@H]2CN(Cc3ccccc3)C[C@H]2O)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
SLC18A3 Q16572 5/20 0.48
FUCA1 P04066 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.43

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
SCHEMBL2794587 1.00 LMNA (0.48) LMNASLC18A3FUCA1ALDH1A1TSHR
SCHEMBL13229594 0.86 L3MBTL1 (0.51) SLC18A3FUCA1ALDH1A1TSHRMAPK1
SCHEMBL2847210 0.86 L3MBTL1 (0.51) SLC18A3FUCA1ALDH1A1TSHRMAPK1
SCHEMBL14385505 0.85 SLC18A3 (0.55) SLC18A3FUCA1ALDH1A1
SCHEMBL4083554 0.83 LMNA (0.60) LMNAALDH1A1TSHRMAPK1
SCHEMBL9643788 0.83 LMNA (0.60) LMNAALDH1A1TSHRMAPK1
SCHEMBL13229733 0.82 SLC18A3 (0.57) SLC18A3FUCA1ALDH1A1
SCHEMBL2794440 0.82 SLC18A3 (0.57) SLC18A3FUCA1ALDH1A1
SCHEMBL2792852 0.82 FUCA1 (0.63) SLC18A3FUCA1ALDH1A1
SCHEMBL13229582 0.82 FUCA1 (0.63) SLC18A3FUCA1ALDH1A1

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
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-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 LMNA 2201/4885SLC18A3 1740/4885FUCA1 3203/4885

“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.