SCHEMBL2026348

SCHEMBL2026348

COCc1cc(C#N)cc(-c2nc(-c3ccc(F)cn3)no2)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.71
KCNH2 Q12809 1/20 0.62
CYP1A2 P05177 1/20 0.40
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA4 P43681 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL4197921 0.87 GRM5 (0.77) GRM5KCNH2CYP1A2CHRNB2CHRNA5
SCHEMBL4195467 0.86 GRM5 (0.90) GRM5KCNH2CYP1A2CHRNB2CHRNA5
SCHEMBL4186575 0.84 GRM5 (0.76) GRM5KCNH2NPC1MAPT
SCHEMBL4197876 0.84 GRM5 (0.72) GRM5KCNH2CYP1A2S1PR1
SCHEMBL29520397 0.84 GRM5 (1.00) GRM5KCNH2CYP1A2
SCHEMBL2027395 0.84 GRM5 (1.00) GRM5KCNH2CYP1A2
SCHEMBL4186389 0.83 GRM5 (0.73) GRM5KCNH2NPC1ALDH1A1MAPT
SCHEMBL4189699 0.83 GRM5 (0.80) GRM5KCNH2CYP1A2NPC1
SCHEMBL4190018 0.82 GRM5 (0.72) GRM5KCNH2NPC1S1PR1
SCHEMBL4193172 0.82 GRM5 (0.71) GRM5KCNH2CYP1A2CHRNB2CHRNA5

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054491-A1 Use ASTRAZENECA AB (SE) 2009-02-26 US claimed
EP-1513525-B1 USE OF MGLUR5 ANTAGONISTS FOR THE TREATMENT OF GERD ASTRAZENECA AB (SE) 2008-05-14 EP claimed
EP-1896011-A1 NEW USE AstraZeneca AB (SE) 2008-03-12 EP claimed
US-20070203163-A1 Novel Treatment Of Irritable Bowel Syndrome 1 ASTRAZENECA AB (SE) 2007-08-30 US claimed
US-20070010553-A1 New use ASTRAZENECA AB (SE) 2007-01-11 US claimed
WO-2007001973-A1 NEW USE ASTRAZENECA AB (SE) 2007-01-04 WO claimed
EP-1694326-A1 NOVEL TREATMENT OF IRRITABLE BOWEL SYNDROME I AstraZeneca AB (SE) 2006-08-30 EP claimed
US-20060128760-A1 Use of mglur5 antagonists for the treatment of gerd ASTRAZENECA AB 2006-06-15 US claimed
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 WO claimed
WO-2005060965-A1 NOVEL TREATMENT OF IRRITABLE BOWEL SYNDROME I ASTRAZENECA AB (SE) 2005-07-07 WO claimed
EP-1513525-A1 USE OF MGLUR5 ANTAGONISTS FOR THE TREATMENT OF GERD AstraZeneca AB (SE) 2005-03-16 EP claimed
WO-2004000316-A1 USE OF MGLUR5 ANTAGONISTS FOR THE TREATMENT OF GERD ASTRAZENECA AB (SE) 2003-12-31 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-7964609-B2 Use of mGluR5 antagonists for the treatment of gerd ASTRAZENECA AB (SE) 2011-06-21 US disclosed
US-7964609-B2 Use of mGluR5 antagonists for the treatment of gerd ASTRAZENECA AB (SE) 2011-06-21 US disclosed
WO-2004000316-A1 USE OF MGLUR5 ANTAGONISTS FOR THE TREATMENT OF GERD ASTRAZENECA AB (SE) 2003-12-31 WO disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 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 (4 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-20090054491-A1 Use FABP6, SLC10A2, GPR119 GRM5 582/4885KCNH2 3309/4885CYP1A2 30/4885
US-20060128760-A1 Use of mglur5 antagonists for the treatment of gerd GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 905/4885CYP1A2 3358/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885KCNH2 860/4885CYP1A2 4298/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 GRM5 1/4885KCNH2 693/4885CYP1A2 4652/4885

“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.