SCHEMBL4331877

SCHEMBL4331877

CC(c1noc(-c2cccc(Cl)c2)n1)N1CCCCn2c(-c3ccncc3)nnc21

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.57
GRM5 P41594 4/20 0.42
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 8/20 0.38
RAB9A P51151 6/20 0.38
BCHE P06276 1/20 0.37
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 1/20 0.36
PKM P14618 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL1545021 0.98 KCNH2 (0.57) KCNH2GRM5MAPTTP53NPC1
SCHEMBL1543893 0.98 KCNH2 (0.57) KCNH2GRM5MAPTTP53NPC1
SCHEMBL1544373 0.98 KCNH2 (0.57) KCNH2GRM5MAPTTP53NPC1
SCHEMBL5486280 0.89 KCNH2 (0.47) KCNH2GRM5MAPTTP53NPC1
SCHEMBL14271113 0.89 RAB9A (0.49) KCNH2GRM5MAPTTP53NPC1
SCHEMBL1544060 0.89 RAB9A (0.49) KCNH2GRM5MAPTTP53NPC1
SCHEMBL14282597 0.83 NPC1 (0.45) KCNH2MAPTTP53NPC1RAB9A
SCHEMBL1545234 0.81 KCNH2 (0.56) KCNH2MAPTTP53NPC1RAB9A
SCHEMBL4327916 0.79 KCNH2 (0.47) KCNH2GRM5MAPTTP53NPC1
SCHEMBL2893197 0.77 GRM5 (0.41) KCNH2GRM5PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576077-B2 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-08-18 US claimed
EP-1716152-B1 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2008-07-30 EP claimed
US-20070185095-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US claimed
EP-1716152-A2 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2006-11-02 EP claimed
US-20060009443-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-12 US claimed
WO-2005080397-A2 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2005-09-01 WO claimed
EP-2672971-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE Pharmalundensis AB (SE) 2013-12-18 EP disclosed
WO-2012108831-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE REDECO CHEM AB (SE) 2012-08-16 WO disclosed
US-7576077-B2 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-08-18 US disclosed
EP-1716152-B1 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-20070185095-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1716152-A2 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060009443-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-12 US disclosed
WO-2005080397-A2 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 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-20070185095-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM5 KCNH2 672/4885GRM5 3/4885MAPT 3234/4885
US-20060009443-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM5 KCNH2 513/4885GRM5 3/4885MAPT 2576/4885

“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.