SCHEMBL9903458

SCHEMBL9903458

Fc1ccccc1C#Cc1cnc2ncsc2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
GRM5 P41594 7/20 0.40
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
IKBKB O14920 1/20 0.33
MAPK14 Q16539 1/20 0.33
BRAF P15056 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRM4 Q14833 2/20 0.31

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
SCHEMBL9903562 0.85 GRM5 (0.35) GRM5NPC1RAB9APTGDR2
SCHEMBL9903639 0.84 BRAF (0.39) NPC1RAB9AMAPK14BRAF
SCHEMBL9903715 0.83 GRM5 (0.41) GRM5IKBKB
SCHEMBL9902620 0.82 GRM5 (0.45) GRM5ALDH1A1HSD17B10
SCHEMBL9903573 0.80 GRM5 (0.39) CHRNB2CHRNA4GRM5NPC1RAB9A
SCHEMBL9902877 0.79 GRM5 (0.46) GRM5
SCHEMBL9903909 0.78 GRM5 (0.40) CHRNB2CHRNA4GRM5
SCHEMBL9903659 0.77 GRM5 (0.45) GRM5
SCHEMBL9902975 0.75 GRM5 (0.37) GRM5
SCHEMBL9903330 0.74 CHRNB2 (0.41) CHRNB2CHRNA4GRM5NPC1BRAF

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 CHRNB2 296/4885CHRNA4 103/4885GRM5 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.