SCHEMBL5107073

SCHEMBL5107073

N#Cc1cc(Cl)cc(-n2ccc(-c3ccccn3)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.72
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL5139464 0.87 GRM5 (0.58) GRM5KDM4E
Hydrochloric Acid SCHEMBL5104252 0.86 GRM5 (0.56) GRM5KDM4E
SCHEMBL5107578 0.85 GRM5 (0.72) GRM5KDM4EALDH1A1MAPTTSHR
SCHEMBL5104221 0.85 GRM5 (0.72) GRM5
SCHEMBL5108108 0.85 GRM5 (0.72) GRM5KDM4EALDH1A1MAPTTSHR
SCHEMBL5100840 0.84 GRM5 (1.00) GRM5KDM4EALDH1A1MAPTTSHR
SCHEMBL5217184 0.77 GRM5 (0.71) GRM5KDM4EALDH1A1MAPTTSHR
SCHEMBL5075853 0.74 GRM5 (0.66) GRM5
SCHEMBL4699120 0.72 GRM5 (0.75) GRM5
SCHEMBL5081724 0.71 GRM5 (0.56) 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-7371767-B2 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2008-05-13 US claimed
US-20050085514-A1 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2005-04-21 US claimed
EP-1458710-A4 HETEROARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-04-20 EP claimed
EP-1458710-A1 HETEROARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2004-09-22 EP claimed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO claimed
WO-2003059904-A1 HETEROARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-07-24 WO claimed
US-7371767-B2 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2008-05-13 US disclosed
US-7371767-B2 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2008-05-13 US disclosed
US-7371767-B2 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2008-05-13 US disclosed
US-20050085514-A1 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2005-04-21 US 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-20050085514-A1 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRIN2C GRM5 1/4885KDM4E 1494/4885ALDH1A1 2777/4885

“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.