SCHEMBL14714141

SCHEMBL14714141

COCCN1CCN(CCOC)C1C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.44
OPRM1 P35372 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD11B1 P28845 1/20 0.32
OPRD1 P41143 1/20 0.30

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
SCHEMBL19976648 0.91 GBA1 (0.40) GBA1OPRM1
SCHEMBL16521117 0.86 GBA1 (0.44) GBA1OPRM1ALDH1A1OPRD1
SCHEMBL22360704 0.79 GBA1 (0.41) GBA1OPRM1ALDH1A1
SCHEMBL25681706 0.76
SCHEMBL25681708 0.76
SCHEMBL22360701 0.76 GBA1 (0.39) GBA1OPRM1
SCHEMBL29341763 0.76 GBA1 (0.39) GBA1OPRM1
SCHEMBL23205043 0.74 KCNJ1 (0.39) GBA1ALDH1A1HSD11B1
SCHEMBL22360706 0.74 GBA1 (0.38) GBA1OPRM1
SCHEMBL25608578 0.74 KCNJ1 (0.39) GBA1ALDH1A1HSD11B1

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
EP-3004123-B1 RUTHENIUM-BASED COMPLEXES, THEIR PREPARATION AND USE AS CATALYSTS ARLANXEO DEUTSCHLAND GMBH (DE) 2018-03-28 EP disclosed
US-9920086-B2 Ruthenium-based complexes, their preparation and use as catalysts ARLANXEO DE GMBH (DE) 2018-03-20 US disclosed
US-9828401-B2 Ruthenium-based complex catalysts ARLANXEO DEUTSCHLAND GMBH (DE) 2017-11-28 US disclosed
EP-2744816-B1 RUTHENIUM-BASED COMPLEX CATALYSTS GOVERNING COUNCIL UNIV TORONTO (CA) 2017-10-11 EP disclosed
US-20160090396-A1 RUTHENIUM-BASED COMPLEXES, THEIR PREPARATION AND USE AS CATALYSTS ARLANXEO DEUTSCHLAND GMBH (DE) 2016-03-31 US disclosed
US-20150057450-A1 RUTHENIUM-BASED COMPLEX CATALYSTS LANXESS DEUTSCHLAND GMBH (DE) 2015-02-26 US disclosed
EP-2614887-A1 Ruthenium-based complex catalysts Lanxess Deutschland GmbH (DE) 2013-07-17 EP disclosed
WO-2013024119-A1 RUTHENIUM-BASED COMPLEX CATALYSTS THE GOVERNING COUNCIL OF UNIVERSITY OF TORONTO (CA) 2013-02-21 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 (2 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-20150057450-A1 RUTHENIUM-BASED COMPLEX CATALYSTS HIRIP3, SRP54, ORC3 GBA1 4147/4885OPRM1 396/4885ALDH1A1 3544/4885
US-20160090396-A1 RUTHENIUM-BASED COMPLEXES, THEIR PREPARATION AND USE AS CATALYSTS TST, VARS1, NBAS GBA1 3180/4885OPRM1 2193/4885ALDH1A1 2699/4885

“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.