SCHEMBL5582867

SCHEMBL5582867

Cc1cccc(Nc2nccc3ccoc23)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 1.00
GRM5 P41594 14/20 0.54
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDR P35968 1/20 0.42
CRHR1 P34998 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL3378292 0.75 GRM5 (0.62) ASIC3GRM5HIF1ASMN1; SMN2
SCHEMBL5582891 0.72 GRM5 (0.62) ASIC3GRM5HIF1ASMN1; SMN2CRHR1
SCHEMBL11555781 0.71 GRM5 (0.66) ASIC3GRM5HIF1ASMN1; SMN2CRHR1
SCHEMBL229747 0.71 RAB9A (0.59) ASIC3GRM5KDRCRHR1
SCHEMBL5582792 0.69 GRM5 (1.00) ASIC3GRM5
SCHEMBL11554972 0.69 GRM5 (0.58) ASIC3GRM5SMN1; SMN2HTT
SCHEMBL5582790 0.69 GRM5 (1.00) ASIC3GRM5
SCHEMBL20265607 0.69 ASIC3 (0.51) ASIC3
SCHEMBL3957843 0.69 GRM5 (0.58) ASIC3GRM5HIF1ASMN1; SMN2KDR
SCHEMBL659278 0.68 ASIC3 (0.51) ASIC3

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 ASIC3 366/4885GRM5 1/4885HIF1A 792/4885

“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.