SCHEMBL9903402

SCHEMBL9903402

Cc1ccccc1C#Cc1cnc2nccnc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.39
GRM5 P41594 5/20 0.38
FFAR4 Q5NUL3 2/20 0.36
CHRM2 P08172 1/20 0.36
S1PR1 P21453 1/20 0.36
FPR1 P21462 1/20 0.36
FPR3 P25089 1/20 0.36
GPR183 P32249 1/20 0.36
APLNR P35414 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 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
SCHEMBL9903708 0.82 ABL1 (0.40) FFAR1GRM5FFAR4CHRM2S1PR1
SCHEMBL9903330 0.82 CHRNB2 (0.41) GRM5PDGFRBPDGFRA
SCHEMBL9902642 0.81 GRM5 (0.51) GRM5PDGFRBPDGFRA
SCHEMBL15363697 0.80 KIT (0.44) ABL1BCR
SCHEMBL9903123 0.78 GRM5 (0.49) GRM5PDGFRBPDGFRAPIK3CG
SCHEMBL9903707 0.78 GRM5 (0.55) FFAR1GRM5ABL1PDGFRBPDGFRA
SCHEMBL9903258 0.76 PIK3CG (0.32) FFAR1GRM5PDGFRBPIK3CG
SCHEMBL11300052 0.76 ALDH1A1 (0.55) FFAR1GRM5ABL1BCRPDGFRB
SCHEMBL9903429 0.75 GRM5 (0.47) GRM5PDGFRBPDGFRAPIK3CG
SCHEMBL9903176 0.74 PIK3CA (0.40) FFAR1GRM5CHRM2PDGFRBPDGFRA

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 FFAR1 246/4885GRM5 1/4885FFAR4 377/4885

“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.