SCHEMBL5075853

SCHEMBL5075853

N#Cc1cc(-n2ccc(-c3ccccn3)c2)ccc1-c1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.66
GRIA1 P42261 1/20 0.46
GRIA3 P42263 1/20 0.46
PDE4D Q08499 1/20 0.46
PLAUR Q03405 1/20 0.36
COMT P21964 1/20 0.36

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
SCHEMBL5100840 0.80 GRM5 (1.00) GRM5
SCHEMBL5077800 0.78 GRM5 (0.53) GRM5
SCHEMBL5081724 0.77 GRM5 (0.56) GRM5GRIA1GRIA3PDE4D
Hydrochloric Acid SCHEMBL5082253 0.77 GRM5 (0.52) GRM5
SCHEMBL5107073 0.74 GRM5 (0.72) GRM5
SCHEMBL5108108 0.74 GRM5 (0.72) GRM5
SCHEMBL5104221 0.74 GRM5 (0.72) GRM5
SCHEMBL5107578 0.74 GRM5 (0.72) GRM5
SCHEMBL28371479 0.73 ALDH1A1 (0.46) GRM5GRIA1GRIA3PDE4DPLAUR
SCHEMBL13261822 0.72 METAP2 (0.50) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393959-B2 Di-aryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK & CO. INC. (US) 2008-07-01 US claimed
EP-1613265-A4 DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2007-02-14 EP claimed
US-20060193926-A1 Di-arylsubstituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2006-08-31 US claimed
EP-1613265-A2 DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-01-11 EP claimed
WO-2004089308-A2 DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2004-10-21 WO claimed
US-7393959-B2 Di-aryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK & CO. INC. (US) 2008-07-01 US disclosed
EP-1613265-A4 DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2007-02-14 EP disclosed
US-20060193926-A1 Di-arylsubstituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2006-08-31 US disclosed
EP-1613265-A2 DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-01-11 EP disclosed
WO-2004089308-A2 DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2004-10-21 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-20060193926-A1 Di-arylsubstituted pyrrole modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRIN2B GRM5 1/4885GRIA1 12/4885GRIA3 9/4885

“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.