SCHEMBL5485878

SCHEMBL5485878

CC(C)(C)OC(=O)N1CCCCC1c1nnn[nH]1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PDE8B O95263 1/20 0.39
LMNA P02545 3/20 0.39
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL1357634 0.96 ALDH1A1 (0.49) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL1357636 0.96 ALDH1A1 (0.49) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL29022331 0.81 USP2 (0.40) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL29022329 0.81 USP2 (0.40) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL19075663 0.80 RIPK1 (0.51) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL19083795 0.79 TP53 (0.36) MAPT
SCHEMBL5768416 0.79 CHRM2 (0.38) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL14407902 0.78 FKBP1A (0.49)
SCHEMBL17457535 0.78 PEPD (0.33)
SCHEMBL21163693 0.77 ALDH1A1 (0.48) ALDH1A1TSHRKMT2AMEN1L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
CN-1918154-A Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (SE) 2007-02-21 CN disclosed
EP-1716143-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-02-02 US disclosed
WO-2005080386-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 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-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 ALDH1A1 3756/4885TSHR 607/4885KMT2A 1501/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 ALDH1A1 3616/4885TSHR 618/4885KMT2A 1582/4885

“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.