SCHEMBL9903441

SCHEMBL9903441

O=C(c1cc2ncc(C#Cc3ccccc3)cn2n1)N1CCC(O)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.54
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ESR2 Q92731 3/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 1/20 0.46
ESR1 P03372 2/20 0.45
POLB P06746 2/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 2/20 0.43
GRM3 Q14832 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL9903451 0.90 SCD5 (0.47) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL9902687 0.89 ALDH1A1 (0.60) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL9903414 0.88 ALDH1A1 (0.62) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL9903683 0.88 ALDH1A1 (0.62) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL9903475 0.86 GRM5 (0.49) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL9903488 0.86 ESR2 (0.64) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL9902740 0.85 GRM5 (0.47) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL9903490 0.83 ALDH1A1 (0.46) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL9903681 0.77 KIT (0.53) GRM5ALDH1A1POLBKDM4EHTT
SCHEMBL9903347 0.76 GRM5 (0.49) GRM5ALDH1A1TDP1GAAMAPT

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 1/4885ALDH1A1 3284/4885TDP1 3476/4885

“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.