SCHEMBL1544072

SCHEMBL1544072

Cn1c(S)nnc1-c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.55
PDE2A O00408 1/20 0.43
PDE10A Q9Y233 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
DCTPP1 Q9H773 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
SCHEMBL14077015 0.81 HSD11B1 (0.58) HSD11B1PDE2APDE10APOLBNPSR1
SCHEMBL10942013 0.79 HSD11B1 (0.76) HSD11B1
SCHEMBL8628370 0.79 HSD11B1 (0.46) HSD11B1POLBGAANPSR1
SCHEMBL4944318 0.79 ALDH1A1 (0.46) HSD11B1PDE2APDE10APOLBNPSR1
SCHEMBL24820549 0.79 HSD11B1 (0.63) HSD11B1GAANPSR1
SCHEMBL17712835 0.78 HSD11B1 (0.39) HSD11B1PDE2APDE10A
SCHEMBL19549077 0.78 HSD11B1 (0.41) HSD11B1PDE2APDE10APOLBNPSR1
SCHEMBL14112940 0.77 KCNN4 (0.41) HSD11B1PDE2APDE10APOLB
SCHEMBL13049797 0.77 PDE10A (0.41) HSD11B1PDE2APDE10A
SCHEMBL6406974 0.76 KMT2A (0.63) HSD11B1PDE2APDE10AGAA

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 16 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
CN-101723941-A “1,2,4” oxadiazole as a metabotropic glutamate receptor-5 modulator ASTRAZENECA AB 2010-06-09 CN 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
CN-101096368-A Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (SE) 2008-01-02 CN 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
CN-1984907-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-06-20 CN disclosed
CN-1894241-A \"1, 2, 4\" oxadiazoles as modulators of metabotropic glutamate receptor-5 ASTRAZENECA AB (SE) 2007-01-10 CN 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-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 US disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US 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 (8 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 HSD11B1 291/4885PDE2A 421/4885PDE10A 283/4885
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 HSD11B1 2450/4885PDE2A 2494/4885PDE10A 1679/4885
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 HSD11B1 3192/4885PDE2A 980/4885PDE10A 695/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 HSD11B1 2509/4885PDE2A 2362/4885PDE10A 1568/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 HSD11B1 2450/4885PDE2A 2494/4885PDE10A 1679/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 HSD11B1 2450/4885PDE2A 2494/4885PDE10A 1679/4885
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 HSD11B1 2450/4885PDE2A 2494/4885PDE10A 1679/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 HSD11B1 2450/4885PDE2A 2494/4885PDE10A 1679/4885

“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.