SCHEMBL2894182

SCHEMBL2894182

CC(C)(C)OC(=O)N1CCC[C@@H]1c1nnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
CPT1A P50416 2/20 0.48
CPT2 P23786 1/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.47
USP30 Q70CQ3 1/20 0.46

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
SCHEMBL2894183 1.00 POLB (0.49) POLBCPT1ACPT2LMNATSHR
SCHEMBL5303447 0.97 CPT1A (0.52) POLBCPT1ACPT2
SCHEMBL5303450 0.97 CPT1A (0.52) POLBCPT1ACPT2
SCHEMBL5800519 0.90 CPT1A (0.46) POLBCPT1ACPT2
SCHEMBL2890744 0.89 CPT1A (0.48) CPT1ACPT2MAPTNPSR1USP30
SCHEMBL8228619 0.89 CPT1A (0.48) CPT1ACPT2LMNATSHRMAPT
SCHEMBL2890738 0.89 CPT1A (0.48) CPT1ACPT2MAPTNPSR1USP30
SCHEMBL5314047 0.87 CPT1A (0.52) CPT1ACPT2MAPTNPSR1
SCHEMBL2895923 0.87 CPT1A (0.48) CPT1ACPT2
SCHEMBL2895918 0.87 CPT1A (0.48) CPT1ACPT2

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-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-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
WO-2007039782-A1 TETRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2007-04-12 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 (2 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 POLB 4780/4885CPT1A 1219/4885CPT2 1082/4885
US-20070259926-A1 mGluR5 modulators III GRM5, GRM3, GRIK5 POLB 4789/4885CPT1A 1746/4885CPT2 1267/4885

“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.