SCHEMBL5485289

SCHEMBL5485289

Clc1cccc(-c2noc(C3COCCN3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.51
NR1H4 Q96RI1 2/20 0.48
KCNH2 Q12809 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL5479206 0.85 NR1H4 (0.48) GRM5NR1H4
SCHEMBL8272720 0.84 NR1H4 (0.68) GRM5NR1H4
SCHEMBL8245030 0.84 NR1H4 (0.68) GRM5NR1H4
SCHEMBL8272755 0.84 NR1H4 (0.68) GRM5NR1H4
SCHEMBL5955781 0.83 NR1H4 (0.46) GRM5NR1H4MAOB
SCHEMBL4071767 0.83 NR1H4 (0.69) GRM5NR1H4
Hydrochloric Acid SCHEMBL4956639 0.83 NR1H4 (0.67) GRM5NR1H4
Hydrochloric Acid SCHEMBL4955423 0.83 NR1H4 (0.67) GRM5NR1H4
Hydrochloric Acid SCHEMBL4955420 0.83 NR1H4 (0.67) GRM5NR1H4
SCHEMBL5781394 0.81 NR1H4 (0.46) GRM5NR1H4

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
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-7074809-B2 Compounds ASTRAZENECA AB (SE) 2006-07-11 US disclosed
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-02-02 US disclosed
EP-1581525-A2 COMPOUNDS HAVING AN ACTIVITY AT METABOTROPIC GLUTAMATE RECEPTORS AstraZeneca AB (SE) 2005-10-05 EP disclosed
WO-2005080386-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 WO disclosed
US-20040106607-A1 New compounds ASTRAZENECA AB AND NPS PHARMACEUTICALS, INC. 2004-06-03 US disclosed
WO-2004014902-A2 COMPOUNDS HAVING AN ACTIVITY AT METABOTROPIC GLUTAMATE RECEPTORS ASTRAZENECA AB (SE) 2004-02-19 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 (3 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 GRM5 5/4885NR1H4 217/4885KCNH2 359/4885
US-20040106607-A1 New compounds MTX1, MLX, TPX2 GRM5 414/4885NR1H4 372/4885KCNH2 1251/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 GRM5 4/4885NR1H4 200/4885KCNH2 363/4885

“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.