SCHEMBL4197355

SCHEMBL4197355

COc1ccc(C#N)cc1-c1nc(-c2ccc(F)cn2)no1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.62
KCNH2 Q12809 1/20 0.56
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 4/20 0.47
TP53 P04637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
KDM1A O60341 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4193019 0.91 GRM5 (0.58) GRM5KCNH2NPC1SMN1; SMN2RAB9A
SCHEMBL4192808 0.82 NPC1 (0.68) GRM5NPC1SMN1; SMN2RAB9ATP53
SCHEMBL4186575 0.78 GRM5 (0.76) GRM5KCNH2NPC1SMN1; SMN2RAB9A
SCHEMBL2027395 0.77 GRM5 (1.00) GRM5KCNH2
SCHEMBL29520397 0.77 GRM5 (1.00) GRM5KCNH2
SCHEMBL4195467 0.77 GRM5 (0.90) GRM5KCNH2
SCHEMBL4195255 0.76 GRM5 (0.76) GRM5KCNH2NPC1SMN1; SMN2RAB9A
SCHEMBL26091972 0.76 GRM5 (0.61) GRM5KCNH2NPC1RAB9AS1PR1
SCHEMBL30079977 0.76 GRM5 (0.61) GRM5KCNH2NPC1RAB9AS1PR1
SCHEMBL4197876 0.74 GRM5 (0.72) GRM5KCNH2TP53TSHRS1PR1

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 18 patents. 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-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
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-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 8/4885KCNH2 860/4885NPC1 941/4885
US-20090054491-A1 Use FABP6, SLC10A2, GPR119 GRM5 582/4885KCNH2 3309/4885NPC1 463/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885KCNH2 860/4885NPC1 941/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 GRM5 1/4885KCNH2 693/4885NPC1 1385/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885KCNH2 860/4885NPC1 941/4885

“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.