SCHEMBL4195262

SCHEMBL4195262

CCOc1cc(C#N)cc(-c2nc(-c3ccccn3)no2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.74
S1PR1 P21453 2/20 0.59
PKM P14618 7/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
HSP90AA1 P07900 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
TP53 P04637 5/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.52
KLF5 Q13887 2/20 0.52
HSD17B10 Q99714 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 1/20 0.49

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
Dimethylamine SCHEMBL4188194 0.97 GRM5 (0.70) GRM5S1PR1PKMNPC1RAB9A
SCHEMBL4198179 0.92 GRM5 (0.71) GRM5S1PR1PKMNPC1RAB9A
SCHEMBL4183987 0.89 GRM5 (0.71) GRM5S1PR1PKMNPC1RAB9A
SCHEMBL4186215 0.89 GRM5 (0.78) GRM5PKMNPC1RAB9ASMN1; SMN2
Dimethylamine SCHEMBL4195379 0.89 GRM5 (0.67) GRM5S1PR1PKMNPC1RAB9A
SCHEMBL4187059 0.89 GRM5 (0.67) GRM5S1PR1PKMNPC1RAB9A
SCHEMBL4195462 0.89 GRM5 (0.70) GRM5S1PR1PKMNPC1RAB9A
SCHEMBL4180914 0.88 GRM5 (0.73) GRM5S1PR1PKMNPC1RAB9A
SCHEMBL4182543 0.87 GRM5 (0.71) GRM5S1PR1PKMNPC1RAB9A
SCHEMBL4188193 0.87 GRM5 (0.67) GRM5S1PR1PKMNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054491-A1 Use ASTRAZENECA AB (SE) 2009-02-26 US claimed
US-20070010553-A1 New use ASTRAZENECA AB (SE) 2007-01-11 US claimed
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 WO claimed
US-20090054491-A1 Use ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1896011-A1 NEW USE AstraZeneca AB (SE) 2008-03-12 EP 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
WO-2007001973-A1 NEW USE ASTRAZENECA AB (SE) 2007-01-04 WO disclosed
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1679313-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-07-12 EP 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-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 (5 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 8/4885S1PR1 920/4885PKM 2453/4885
US-20090054491-A1 Use FABP6, SLC10A2, GPR119 GRM5 582/4885S1PR1 2631/4885PKM 965/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885S1PR1 920/4885PKM 2453/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 GRM5 1/4885S1PR1 881/4885PKM 3450/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885S1PR1 920/4885PKM 2453/4885

“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.