SCHEMBL9903707

SCHEMBL9903707

Cc1cccc(C#Cc2cnc3nccnc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.55
EGLN1 Q9GZT9 1/20 0.43
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
FFAR1 O14842 1/20 0.40
ABL1 P00519 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38

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
SCHEMBL9903123 0.83 GRM5 (0.49) GRM5CHRNB2PDGFRBPDGFRA
SCHEMBL9902642 0.82 GRM5 (0.51) GRM5PDGFRBPDGFRA
SCHEMBL9903557 0.82 GRM5 (0.43) GRM5
SCHEMBL9903420 0.82 GRM5 (0.55) GRM5EGLN1CHRNB2CHRNA4FFAR1
SCHEMBL9902678 0.82 GRM5 (0.43) GRM5CHRNB2CHRNA4ABL1
SCHEMBL9902646 0.78 AAK1 (0.49) GRM5CHRNB2CHRNA4
SCHEMBL9903402 0.78 FFAR1 (0.39) GRM5FFAR1ABL1GABRPGABRD
SCHEMBL9903258 0.77 PIK3CG (0.32) GRM5FFAR1PDGFRB
SCHEMBL9903429 0.77 GRM5 (0.47) GRM5PDGFRBPDGFRA
SCHEMBL9902798 0.76 BRAF (0.38) GRM5PDGFRBPDGFRA

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 3 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
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 1/4885EGLN1 3534/4885CHRNB2 296/4885

“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.