SCHEMBL5582891

SCHEMBL5582891

CSc1c(C)ccnc1Nc1cccc(C)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.62
ASIC3 Q9UHC3 2/20 0.56
CRHR1 P34998 1/20 0.42
HIF1A Q16665 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
ALPL P05186 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
PPP1CA P62136 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL5582790 0.75 GRM5 (1.00) GRM5ASIC3
SCHEMBL3378292 0.73 GRM5 (0.62) GRM5ASIC3HIF1AKMT2AMEN1
SCHEMBL11555781 0.72 GRM5 (0.66) GRM5ASIC3CRHR1HIF1AHTT
SCHEMBL229747 0.72 RAB9A (0.59) GRM5ASIC3CRHR1KMT2AMEN1
SCHEMBL5582867 0.72 ASIC3 (1.00) GRM5ASIC3CRHR1HIF1AHTT
SCHEMBL31247774 0.71 GRM5 (0.84) GRM5ASIC3HIF1AHTTKMT2A
SCHEMBL5582792 0.70 GRM5 (1.00) GRM5ASIC3
SCHEMBL3957843 0.70 GRM5 (0.58) GRM5ASIC3HIF1AKMT2AMEN1
SCHEMBL16926595 0.69 GRM5 (0.54) GRM5ASIC3
SCHEMBL8306024 0.69 GRM5 (1.00) GRM5ASIC3

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 1/4885ASIC3 366/4885CRHR1 99/4885

“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.