SCHEMBL4186479

SCHEMBL4186479

Clc1cc(Cl)cc(-c2nc(-c3ccccn3)co2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.61
CCR1 P32246 3/20 0.56
CCR5 P51681 3/20 0.56
CCR8 P51685 3/20 0.56
TP53 P04637 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MAPT P10636 3/20 0.48
PKM P14618 3/20 0.48
TSHR P16473 2/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
MITF O75030 1/20 0.48
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 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
SCHEMBL4190550 0.90 GRM5 (0.68) GRM5CCR1CCR5CCR8TP53
SCHEMBL4182002 0.88 GRM5 (0.63) GRM5CCR1CCR5CCR8TP53
SCHEMBL4200182 0.87 GRM5 (0.74) GRM5CCR1CCR5CCR8TP53
SCHEMBL10717774 0.82 GRM5 (0.57) GRM5CCR1CCR5CCR8TP53
SCHEMBL4190749 0.82 GRM5 (0.76) GRM5CCR1CCR5CCR8TP53
SCHEMBL4891365 0.81 GRM5 (0.87) GRM5
SCHEMBL4192538 0.78 GRM5 (0.57) GRM5TP53SMN1; SMN2NPC1RAB9A
SCHEMBL14395140 0.77 GRM5 (0.53) GRM5CCR1CCR5CCR8TP53
SCHEMBL4197892 0.77 GRM5 (0.60) GRM5CCR1CCR5CCR8TP53
SCHEMBL4186197 0.77 GRM5 (0.64) GRM5CCR1CCR5CCR8TP53

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 32 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
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 WO 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 582/4885CCR1 3803/4885CCR5 3938/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885CCR1 2413/4885CCR5 764/4885
US-20070010553-A1 New use GRM5, GRM3, GRM1 GRM5 1/4885CCR1 781/4885CCR5 303/4885

“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.