SCHEMBL5582608

SCHEMBL5582608

CCOc1cccnc1Nc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 1.00
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
HTT P42858 2/20 0.50
MAPK10 P53779 2/20 0.49
ASIC3 Q9UHC3 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL8307140 0.82 GRM5 (0.69) GRM5KMT2AMEN1HTTASIC3
SCHEMBL5582696 0.82 GRM5 (1.00) GRM5ASIC3
SCHEMBL5582909 0.80 GRM5 (1.00) GRM5ASIC3
SCHEMBL5582626 0.78 GRM5 (1.00) GRM5ASIC3
SCHEMBL8310997 0.78 GRM5 (0.74) GRM5ALDH1A1HPGD
SCHEMBL20260151 0.77 GRM5 (0.61) GRM5KMT2AMEN1HTTMAPK10
SCHEMBL5582803 0.76 GRM5 (1.00) GRM5KMT2AMEN1HTTASIC3
SCHEMBL3960441 0.75 GRM5 (0.68) GRM5KMT2AMEN1HTTMAPK10
Alcohol SCHEMBL11701443 0.75 KMT2A (0.59) GRM5KMT2AMEN1HTTMAPK10
SCHEMBL5772959 0.74 GRM5 (0.58) GRM5KMT2AMEN1HTTMAPK10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
EP-1664018-A1 BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-06-07 EP disclosed
WO-2005021529-A1 BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2005-03-10 WO disclosed
WO-2005021529-A1 BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2005-03-10 WO 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-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 GRM5 1/4885KMT2A 721/4885MEN1 4674/4885

“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.