SCHEMBL1544585

SCHEMBL1544585

COC(=O)c1cc(-c2cc(C)ccc2F)on1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.51
MAPT P10636 1/20 0.51
NOTUM Q6P988 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
SLC9A1 P19634 1/20 0.45
PTPN1 P18031 1/20 0.44
NPC1 O15118 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
RAB9A P51151 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HCRTR1 O43613 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL5958371 0.84 SLC9A1 (0.45) TP53MAPTSMN1; SMN2SLC9A1NPC1
SCHEMBL4323686 0.84 ALDH1A1 (0.49) TP53MAPTSMN1; SMN2SLC9A1PTPN1
SCHEMBL6818243 0.83 MAPT (0.54) TP53MAPTNOTUMMAPK1SMN1; SMN2
SCHEMBL5958449 0.81 SLC9A1 (0.42) TP53SMN1; SMN2SLC9A1PTPN1NPC1
SCHEMBL15498742 0.78 TP53 (0.75) TP53MAPTNOTUMMAPK1SMN1; SMN2
SCHEMBL4942913 0.77 SLC9A1 (0.64) MAPTSMN1; SMN2SLC9A1NPC1MEN1
SCHEMBL27788541 0.77 SLC9A1 (0.41) TP53MAPTSMN1; SMN2SLC9A1NPC1
SCHEMBL18490233 0.76 MAPT (0.50) TP53MAPTMAPK1PTPN1MEN1
SCHEMBL6818530 0.75 MAPT (0.55) TP53MAPTNOTUMMAPK1SMN1; SMN2
SCHEMBL17731963 0.75 NOTUM (0.63) TP53MAPTNOTUMMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311830-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists AstraZeneca AB (SE) 2011-04-20 EP disclosed
EP-1723144-B1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-10-06 EP disclosed
US-7585881-B2 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-09-08 US disclosed
US-7456200-B2 Compounds ASTRAZENECA AB (SE) 2008-11-25 US disclosed
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-12-20 US disclosed
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-02 US disclosed
EP-1723144-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-22 EP disclosed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 US disclosed
US-20060063772-A1 New compounds ASTRAZENECA AB (SE) 2006-03-23 US disclosed
WO-2006014185-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-02-09 WO disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 US disclosed
EP-1536790-A2 OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 AstraZeneca AB (SE) 2005-06-08 EP disclosed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed
US-20040132726-A1 heterocyclic compounds, e.g., 4-(5-m-Tolyl-[1,2,4]oxadiazol-3-ylmethyl)-piperazine-1-carboxylic acid ethyl ester; treatment of mGluR5 receptor-mediated disorders, particularly neurological disorders, psychiatric disorders, acute and chronic pain. ASTRAZENECA AB AND NPS PHARMACEUTICALS, INC. 2004-07-08 US disclosed
WO-2004014370-A2 OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRAZENECA AB (SE) 2004-02-19 WO disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 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 (10 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-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 TP53 2732/4885MAPT 1620/4885NOTUM 331/4885
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 TP53 4878/4885MAPT 780/4885NOTUM 1681/4885
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 TP53 4884/4885MAPT 1167/4885NOTUM 2530/4885
US-20040132726-A1 heterocyclic compounds, e.g., 4-(5-m-Tolyl-[1,2,4]oxadiazol-3-ylmethyl)-piperazine-1-carboxylic acid ethyl ester; treatment of mGluR5 receptor-mediated disorders, particularly neurological disorders, psychiatric disorders, acute and chronic pain. GRM5, GRIK5, GRM1 TP53 4855/4885MAPT 1988/4885NOTUM 3568/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 TP53 4878/4885MAPT 740/4885NOTUM 1816/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 TP53 4878/4885MAPT 780/4885NOTUM 1681/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 TP53 4878/4885MAPT 780/4885NOTUM 1681/4885
US-20060063772-A1 New compounds NPY4R, RPS4X, P2RX4 TP53 2026/4885MAPT 3311/4885NOTUM 4247/4885
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 TP53 4878/4885MAPT 780/4885NOTUM 1681/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 TP53 4878/4885MAPT 780/4885NOTUM 1681/4885

“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.