SCHEMBL4188745

SCHEMBL4188745

N#Cc1ccc(-c2noc(-c3cccc(-c4cccnc4)c3)n2)nc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.65
CHRNA5 P30532 4/20 0.65
CHRNA4 P43681 4/20 0.65
GRM5 P41594 7/20 0.58
KCNH2 Q12809 1/20 0.58
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
CYP11B2 P19099 2/20 0.50
CYP17A1 P05093 1/20 0.50
CYP11B1 P15538 1/20 0.50
USP30 Q70CQ3 1/20 0.48
S1PR1 P21453 1/20 0.47
CA9 Q16790 1/20 0.46
PPARA Q07869 1/20 0.45

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
Hydrochloric Acid SCHEMBL5229476 0.99 CHRNB2 (0.64) CHRNB2CHRNA5CHRNA4GRM5KCNH2
SCHEMBL4193107 0.89 GRM5 (0.72) CHRNB2CHRNA5CHRNA4GRM5KCNH2
Hydrochloric Acid SCHEMBL5227505 0.88 GRM5 (0.71) CHRNB2CHRNA5CHRNA4GRM5KCNH2
SCHEMBL4192844 0.86 GRM5 (0.73) CHRNB2CHRNA5CHRNA4GRM5KCNH2
SCHEMBL4199939 0.83 GRM5 (0.63) CHRNB2CHRNA5CHRNA4GRM5KCNH2
SCHEMBL14395229 0.82 GRM5 (0.62) CHRNB2CHRNA5CHRNA4GRM5KCNH2
SCHEMBL4192819 0.82 TP53 (0.57) CHRNB2CHRNA5CHRNA4GRM5NPC1
SCHEMBL4193000 0.81 GRM5 (0.76) CHRNB2CHRNA5CHRNA4GRM5KCNH2
SCHEMBL1421777 0.79 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4GRM5NPC1
SCHEMBL30065433 0.79 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4GRM5NPC1

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 21 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-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US 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
CN-1332959-C Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2007-08-22 CN disclosed
US-20070010553-A1 New use ASTRAZENECA AB (SE) 2007-01-11 US disclosed
CN-1853630-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2006-11-01 CN 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
CN-1649865-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2005-08-03 CN 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 CHRNB2 117/4885CHRNA5 63/4885CHRNA4 86/4885
US-20090054491-A1 Use FABP6, SLC10A2, GPR119 CHRNB2 1624/4885CHRNA5 2120/4885CHRNA4 2769/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 CHRNB2 117/4885CHRNA5 63/4885CHRNA4 86/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 CHRNB2 185/4885CHRNA5 27/4885CHRNA4 93/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 CHRNB2 117/4885CHRNA5 63/4885CHRNA4 86/4885

“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.