SCHEMBL5495325

SCHEMBL5495325

CN=C(SC)N1CCOCC1c1noc(-c2cccc(Cl)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
USP30 Q70CQ3 4/20 0.35
GRM5 P41594 2/20 0.35
MITF O75030 1/20 0.35
PKM P14618 1/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34

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
SCHEMBL5495324 1.00 NPC1 (0.39) NPC1RAB9AMAPTTP53L3MBTL1
SCHEMBL5484082 0.84 GRM5 (0.49) MAPTSMN1; SMN2GRM5HCRTR1HCRTR2
SCHEMBL5484084 0.84 GRM5 (0.49) MAPTSMN1; SMN2GRM5HCRTR1HCRTR2
SCHEMBL5482294 0.84 NPC1 (0.46) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL5482296 0.84 NPC1 (0.46) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL5485915 0.81 NPC1 (0.40) NPC1RAB9AMAPTTP53L3MBTL1
SCHEMBL5475778 0.79 USP30 (0.47) NPC1RAB9AL3MBTL1USP30GRM5
SCHEMBL5478774 0.77 GRM5 (0.38) MAPTL3MBTL1GRM5HCRTR1HCRTR2
SCHEMBL5478779 0.77 GRM5 (0.38) MAPTL3MBTL1GRM5HCRTR1HCRTR2
SCHEMBL5485912 0.73 CPT1A (0.41) GRM5

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 4 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
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 NPC1 2424/4885RAB9A 3419/4885MAPT 2055/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 NPC1 2449/4885RAB9A 3443/4885MAPT 1912/4885

“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.