SCHEMBL4243891

SCHEMBL4243891

C[C@@H]1OC(C)(C)O[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.31
APLNR P35414 1/20 0.31
PGD P52209 1/20 0.31

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
SCHEMBL4871828 1.00 SUCNR1 (0.38) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL2032406 1.00 SUCNR1 (0.38) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL14527074 1.00 SUCNR1 (0.38) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL15325118 1.00 SUCNR1 (0.38) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL27159744 0.85 SUCNR1 (0.45) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL1595064 0.85 SUCNR1 (0.45) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL1727954 0.85 SUCNR1 (0.45) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL1595065 0.85 SUCNR1 (0.45) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL10473227 0.85 SUCNR1 (0.45) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL14944924 0.81 MAPK1 (0.37) MAPK1NPSR1GAAPGD

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
EP-1299342-B1 METHOD FOR PRODUCING 3,3-DIARYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2007-05-02 EP claimed
US-6809225-B2 BY HYDROCARBONYLATION/HYDROFORMYLATION WITH SUBSEQUENT REDUCTIVE AMINATION SCHWARZ PHARMA AG (DE) 2004-10-26 US claimed
US-8518966-B2 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2013-08-27 US disclosed
EP-2185553-B1 AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2012-06-27 EP disclosed
US-7902221-B2 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2011-03-08 US disclosed
US-20090062335-A1 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. 2009-03-05 US 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-20090062335-A1 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRL1, OPRK1 SUCNR1 629/4885MAPK1 694/4885NPSR1 13/4885

“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.