SCHEMBL9903364

SCHEMBL9903364

CC(C)(C)OC(=O)N1CC=C(C#Cc2cnc3ccnn3c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.62
GRM1 Q13255 9/20 0.44
KIT P10721 7/20 0.42
DDR1 Q08345 7/20 0.42
PDK4 Q16654 1/20 0.39
DDR2 Q16832 1/20 0.39

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
SCHEMBL9903855 0.81 GRM5 (0.50) GRM5
SCHEMBL19989696 0.80 GRM5 (0.69) GRM5GRM1PDK4
SCHEMBL3348848 0.80 GRM5 (0.66) GRM5GRM1PDK4
SCHEMBL14995149 0.79 GRM5 (0.70) GRM5GRM1PDK4
SCHEMBL4047546 0.78 GRM5 (0.60) GRM5GRM1PDK4
SCHEMBL941018 0.75 GRM5 (0.61) GRM5GRM1PDK4
SCHEMBL3348910 0.74 GRM5 (0.66) GRM5GRM1PDK4
SCHEMBL8142754 0.73 GRM5 (0.59) GRM5GRM1PDK4
SCHEMBL2893138 0.73 GRM5 (0.63) GRM5GRM1PDK4
SCHEMBL22027708 0.72 RET (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US claimed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP claimed
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US disclosed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP 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 (1 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-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS GRM5, GRIK5, GRM1 GRM5 1/4885GRM1 3/4885KIT 4512/4885

“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.