SCHEMBL5225947

SCHEMBL5225947

CC(C)(C)OC(=O)c1ccc(-c2noc(-c3cccc(Br)c3)n2)nc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.53
NPC1 O15118 8/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
PKM P14618 3/20 0.42
KMT2A Q03164 2/20 0.40
MAPT P10636 4/20 0.39
TP53 P04637 3/20 0.39
MITF O75030 1/20 0.39
TSHR P16473 1/20 0.39
HPGDS O60760 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
USP30 Q70CQ3 1/20 0.38
POLB P06746 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL5225620 0.86 GRM5 (0.56) GRM5NPC1RAB9ASMN1; SMN2PKM
SCHEMBL5223307 0.85 GRM5 (0.46) GRM5
SCHEMBL5228245 0.83 GRM5 (0.61) GRM5NPC1RAB9ASMN1; SMN2PKM
SCHEMBL5226204 0.82 GRM5 (0.60) GRM5NPC1RAB9ASMN1; SMN2PKM
SCHEMBL5222442 0.76 GRM5 (0.66) GRM5HDAC6
SCHEMBL4190475 0.74 GRM5 (0.65) GRM5NPC1RAB9ASMN1; SMN2PKM
SCHEMBL1422877 0.73 NPC1 (0.56) NPC1RAB9ASMN1; SMN2PKMKMT2A
SCHEMBL4199939 0.71 GRM5 (0.63) GRM5NPC1RAB9ASMN1; SMN2PKM
SCHEMBL4197929 0.70 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2PKM
SCHEMBL2119508 0.69 TP53 (0.53) NPC1RAB9ASMN1; SMN2MAPTTP53

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 EP 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
EP-1679313-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-07-12 EP disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US 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 (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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885NPC1 941/4885RAB9A 1813/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885NPC1 941/4885RAB9A 1813/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 GRM5 8/4885NPC1 941/4885RAB9A 1813/4885

“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.