SCHEMBL4186533

SCHEMBL4186533

COc1cc(C#N)cc(-c2nc(-c3ccc(C#N)cn3)no2)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.69
KCNH2 Q12809 1/20 0.69
RAB9A P51151 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM1A O60341 1/20 0.48
PKM P14618 1/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 1/20 0.47
S1PR1 P21453 1/20 0.47

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
SCHEMBL4193003 0.90 GRM5 (0.56) GRM5KCNH2RAB9AMEN1KMT2A
SCHEMBL4186575 0.90 GRM5 (0.76) GRM5KCNH2RAB9AMEN1KMT2A
SCHEMBL4198125 0.89 GRM5 (0.67) GRM5KCNH2RAB9ANPC1SMN1; SMN2
SCHEMBL4193015 0.87 GRM5 (0.67) GRM5KCNH2RAB9AMAPTNPC1
SCHEMBL4182617 0.85 GRM5 (0.69) GRM5KCNH2S1PR1
SCHEMBL4186215 0.85 GRM5 (0.78) GRM5RAB9AMEN1KMT2AMAPT
SCHEMBL5223474 0.84 GRM5 (0.74) GRM5KCNH2RAB9AMEN1KMT2A
SCHEMBL4188004 0.84 GRM5 (0.63) GRM5KCNH2HPGDS1PR1
SCHEMBL30079793 0.82 GRM5 (1.00) GRM5KCNH2
SCHEMBL4194639 0.82 GRM5 (0.74) GRM5KCNH2RAB9AMAPTNPC1

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 22 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-1896011-A1 NEW USE AstraZeneca AB (SE) 2008-03-12 EP 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
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 WO claimed
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 claimed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US 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-20090054491-A1 Use ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 EP disclosed
US-20070010553-A1 New use ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 EP 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-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO 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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885KCNH2 860/4885RAB9A 1813/4885
US-20090054491-A1 Use FABP6, SLC10A2, GPR119 GRM5 582/4885KCNH2 3309/4885RAB9A 3862/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885KCNH2 860/4885RAB9A 1813/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 GRM5 1/4885KCNH2 693/4885RAB9A 2078/4885

“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.