SCHEMBL9903071

SCHEMBL9903071

Fc1cc(F)cc(C#Cc2cnc3cccnc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK3 Q16288 1/20 0.39
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GRM5 P41594 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL9903118 0.88 BCHE (0.43) BCHEACHEGRM5
SCHEMBL9903615 0.87 EGLN1 (0.39) BCHEACHEALDH1A1GRM5CHRNB2
SCHEMBL9902619 0.81 GRM5 (0.51) ALDH1A1GRM5
SCHEMBL9902966 0.81 BRAF (0.39) BCHEACHEALDH1A1GRM5
SCHEMBL9903671 0.81 GRM5 (0.38) BCHEACHEALDH1A1GRM5
SCHEMBL9902914 0.80 CHRNB2 (0.41) ALDH1A1GRM5CHRNB2CHRNA4
SCHEMBL9902735 0.80 PIK3CA (0.42) ALDH1A1GRM5
SCHEMBL9902843 0.79 AAK1 (0.50) GRM5CHRNB2CHRNA4
SCHEMBL6157594 0.78 ALDH1A1 (0.38) ALDH1A1GRM5
SCHEMBL9903498 0.78 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 NTRK3 784/4885BCHE 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.