SCHEMBL4189670

SCHEMBL4189670

Cc1cc(-c2nc(-c3ccccn3)co2)c(Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.43
CCR1 P32246 3/20 0.41
CCR5 P51681 3/20 0.41
CCR8 P51685 3/20 0.41
NPC1 O15118 7/20 0.38
RAB9A P51151 6/20 0.38
TP53 P04637 5/20 0.38
PKM P14618 4/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4186214 0.80 NPC1 (0.61) GRM5NPC1RAB9ATP53PKM
SCHEMBL4197892 0.76 GRM5 (0.60) GRM5CCR1CCR5CCR8NPC1
SCHEMBL4189978 0.73 GRM5 (0.63) GRM5CCR1CCR5CCR8NPC1
SCHEMBL6625121 0.72 NPC1 (0.46) GRM5CCR1CCR5CCR8NPC1
SCHEMBL4193230 0.72 SMN1; SMN2 (0.46) GRM5CCR1CCR5CCR8NPC1
SCHEMBL4189661 0.72 GRM5 (0.43) GRM5CCR1CCR5CCR8NPC1
SCHEMBL4186479 0.72 GRM5 (0.61) GRM5CCR1CCR5CCR8NPC1
SCHEMBL4182002 0.70 GRM5 (0.63) GRM5CCR1CCR5CCR8NPC1
SCHEMBL4197335 0.70 GRM5 (0.63) GRM5CCR1CCR5CCR8NPC1
SCHEMBL4194789 0.70 KDM4E (0.61) GRM5CCR1CCR5CCR8NPC1

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 25 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-2005060961-A2 TREATMENT OF TRANSIENT LOWER ESOPHAGEAL SPHINCTER RELAXATIONS (TLESRS) AND GASTRO-ESOPHAGEAL REFLUX DISEASE (GERD) ASTRAZENECA AB (US) 2005-07-07 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
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-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
WO-2005060971-A1 TREATMENT OF REFLUX-RELATED DISEASES ASTRAZENECA AB (SE) 2005-07-07 WO 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
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.