SCHEMBL4186247

SCHEMBL4186247

Fc1ccc(-c2noc(-c3cc(F)cc(-c4cccnc4)c3)n2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.61
SMN1; SMN2 Q16637 5/20 0.56
TP53 P04637 5/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
KCNH2 Q12809 1/20 0.52
CHRNB2 P17787 2/20 0.51
CHRNA5 P30532 2/20 0.51
CHRNA4 P43681 2/20 0.51
PPARA Q07869 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.46
S1PR1 P21453 1/20 0.45
NFKB1 P19838 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
SCHEMBL4179004 0.93 SMN1; SMN2 (0.54) GRM5SMN1; SMN2TP53NPC1RAB9A
SCHEMBL14394780 0.92 TP53 (0.53) GRM5SMN1; SMN2TP53NPC1RAB9A
SCHEMBL4192819 0.92 TP53 (0.57) GRM5SMN1; SMN2TP53NPC1RAB9A
SCHEMBL4181321 0.91 CHRNB2 (0.51) GRM5SMN1; SMN2TP53NPC1RAB9A
SCHEMBL4197333 0.88 GRM5 (0.74) GRM5SMN1; SMN2TP53NPC1RAB9A
SCHEMBL4193107 0.87 GRM5 (0.72) GRM5SMN1; SMN2TP53NPC1RAB9A
Hydrochloric Acid SCHEMBL5227505 0.86 GRM5 (0.71) GRM5SMN1; SMN2TP53NPC1RAB9A
SCHEMBL1422727 0.81 CHRNB2 (0.73) SMN1; SMN2TP53NPC1RAB9ATSHR
SCHEMBL4188207 0.80 GRM5 (0.69) GRM5SMN1; SMN2TP53NPC1RAB9A
SCHEMBL14394808 0.79 GRM5 (0.67) GRM5SMN1; SMN2TP53NPC1RAB9A

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 24 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-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
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
WO-2007001973-A1 NEW USE ASTRAZENECA AB (SE) 2007-01-04 WO 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 8/4885SMN1; SMN2 1279/4885TP53 4795/4885
US-20090054491-A1 Use FABP6, SLC10A2, GPR119 GRM5 582/4885SMN1; SMN2 2639/4885TP53 4856/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885SMN1; SMN2 1279/4885TP53 4795/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 GRM5 1/4885SMN1; SMN2 3124/4885TP53 4884/4885

“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.