SCHEMBL2899520

SCHEMBL2899520

C/N=C(\SC)N1CCC[C@@H]1c1nnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 5/20 0.44
CPT2 P23786 3/20 0.44
GRM5 P41594 1/20 0.41

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
SCHEMBL2899523 1.00 CPT1A (0.44) CPT1ACPT2GRM5
SCHEMBL2899526 1.00 CPT1A (0.44) CPT1ACPT2GRM5
SCHEMBL4202781 0.97 CPT1A (0.47) CPT1ACPT2
SCHEMBL4202786 0.97 CPT1A (0.47) CPT1ACPT2
SCHEMBL5800905 0.90 CPT1A (0.43) CPT1ACPT2
SCHEMBL8231167 0.88 CPT1A (0.42) CPT1ACPT2
SCHEMBL4202800 0.86 CPT1A (0.45) CPT1ACPT2GRM5
SCHEMBL4202797 0.86 CPT1A (0.45) CPT1ACPT2GRM5
SCHEMBL5478774 0.86 GRM5 (0.38) GRM5
SCHEMBL5478779 0.86 GRM5 (0.38) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027110-A2 MGLUR5 MODULATORS III Astra Zeneca AB (SE) 2009-02-25 EP claimed
EP-2027120-A2 MGLUR5 MODULATORS I AstraZeneca AB (SE) 2009-02-25 EP claimed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 WO claimed
WO-2007130822-A2 MGLUR5 MODULATORS III ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259926-A1 mGluR5 modulators III ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-20090111854-A1 1,2,4-TRIAZOLE ARYL N-OXIDES DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111854-A1 1,2,4-TRIAZOLE ARYL N-OXIDES DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
WO-2007130822-A2 MGLUR5 MODULATORS III ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259926-A1 mGluR5 modulators III ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259926-A1 mGluR5 modulators III ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259926-A1 mGluR5 modulators III ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 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 (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-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 CPT1A 1219/4885CPT2 1082/4885GRM5 1/4885
US-20090111854-A1 1,2,4-TRIAZOLE ARYL N-OXIDES DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 CPT1A 2329/4885CPT2 1618/4885GRM5 1/4885
US-20070259926-A1 mGluR5 modulators III GRM5, GRM3, GRIK5 CPT1A 1746/4885CPT2 1267/4885GRM5 1/4885

“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.