SCHEMBL9903671

SCHEMBL9903671

Fc1ccc(C#Cc2cnc3cccnc3c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.38
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
NR3C2 P08235 1/20 0.35
SHMT2 P34897 1/20 0.35
AAK1 Q2M2I8 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9903388 0.86 ALDH1A1 (0.39) GRM5BCHEACHEAAK1ALDH1A1
SCHEMBL9902914 0.86 CHRNB2 (0.41) GRM5AAK1PTGDR2ALDH1A1
SCHEMBL9903615 0.84 EGLN1 (0.39) GRM5BCHEACHEALDH1A1
SCHEMBL27854620 0.83 FFAR1 (0.38) AAK1ALDH1A1
SCHEMBL9903554 0.82 GRM5 (0.39) GRM5NR3C2SHMT2PTGDR2
SCHEMBL9903118 0.81 BCHE (0.43) GRM5BCHEACHE
SCHEMBL9903071 0.81 NTRK3 (0.39) GRM5BCHEACHEALDH1A1
SCHEMBL9902966 0.78 BRAF (0.39) GRM5BCHEACHEALDH1A1
SCHEMBL9902619 0.76 GRM5 (0.51) GRM5ALDH1A1
SCHEMBL9903498 0.75 GRM5 (0.46) 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 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 1/4885BCHE 1499/4885ACHE 1511/4885

“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.