SCHEMBL4200005

SCHEMBL4200005

N#Cc1cccc(-c2nc(-c3ccc(Cl)cn3)co2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.49
NOTUM Q6P988 1/20 0.45
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA4 P43681 1/20 0.42
KDM1A O60341 1/20 0.41
CLK4 Q9HAZ1 1/20 0.40
ATR Q13535 1/20 0.40
IDO1 P14902 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
CYP1A2 P05177 1/20 0.38
MMP13 P45452 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
CYP11B1 P15538 1/20 0.38

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
SCHEMBL4186182 0.85 GRM5 (0.58) GRM5NOTUMCHRNB2CHRNA5CHRNA4
SCHEMBL4187927 0.82 GRM5 (0.47) GRM5NOTUMCHRNB2CHRNA5CHRNA4
SCHEMBL4187029 0.81 GRM5 (0.72) GRM5NOTUMCHRNB2CHRNA5CHRNA4
SCHEMBL4197906 0.81 GRM5 (0.68) GRM5CHRNB2CHRNA5CHRNA4CLK4
SCHEMBL14394966 0.79 GRM5 (0.46) GRM5NOTUMKDM1ACLK4IDO1
SCHEMBL4189694 0.78 CHRNB2 (0.56) GRM5CHRNB2CHRNA5CHRNA4KDM1A
SCHEMBL4192568 0.77 GRM5 (0.47) GRM5NOTUMCHRNB2CHRNA5CHRNA4
SCHEMBL4188325 0.76 GRM5 (0.48) GRM5NOTUMKDM1ACLK4ATR
SCHEMBL4180815 0.76 GRM5 (0.45) GRM5NOTUMKDM1ACLK4IDO1
SCHEMBL4189983 0.74 SMN1; SMN2 (0.43) GRM5NOTUMCHRNB2CHRNA5CHRNA4

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 29 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
EP-1210344-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2005-10-19 EP claimed
EP-1582519-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2005-10-05 EP claimed
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 WO claimed
WO-2005060961-A2 TREATMENT OF TRANSIENT LOWER ESOPHAGEAL SPHINCTER RELAXATIONS (TLESRS) AND GASTRO-ESOPHAGEAL REFLUX DISEASE (GERD) ASTRAZENECA AB (US) 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
EP-1210344-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-06-05 EP claimed
WO-2001012627-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2001-02-22 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
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-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
CN-1379775-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2002-11-13 CN disclosed
EP-1210344-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-06-05 EP disclosed
WO-2001012627-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2001-02-22 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 (3 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-20090054491-A1 Use FABP6, SLC10A2, GPR119 GRM5 582/4885NOTUM 96/4885CHRNB2 1624/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885NOTUM 3543/4885CHRNB2 117/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 GRM5 1/4885NOTUM 1611/4885CHRNB2 185/4885

“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.