SCHEMBL3922702

SCHEMBL3922702

CN(C)C(=O)Oc1ccc(-n2cc(-c3ccccn3)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.58
GRM5 P41594 1/20 0.46
ALDH1A1 P00352 3/20 0.44
PKM P14618 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 3/20 0.43
MAPKAPK2 P49137 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
MELK Q14680 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PDE10A Q9Y233 1/20 0.39
ACHE P22303 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3930712 0.84 GRM5 (0.46) GRM4GRM5ALDH1A1KMT2ARAB9A
SCHEMBL5215574 0.84 GRM4 (0.56) GRM4ALDH1A1PKMKMT2ARAB9A
SCHEMBL5216162 0.81 GRM4 (0.53) GRM4ALDH1A1PKMKMT2ARAB9A
SCHEMBL5222229 0.78 GRM4 (0.57) GRM4ALDH1A1PKMKMT2ARAB9A
SCHEMBL3929889 0.78 GRM5 (0.53) GRM4GRM5PDE10AKCNH2
SCHEMBL30795132 0.78 GRM5 (0.53) GRM4GRM5PDE10AKCNH2
SCHEMBL3926032 0.77 GRM5 (0.50) GRM4GRM5KMT2APDE10AKCNH2
SCHEMBL30794433 0.77 GRM5 (0.50) GRM4GRM5KMT2APDE10AKCNH2
SCHEMBL5669784 0.77 GRM5 (0.60) GRM4GRM5MELKKDM4EPDE10A
SCHEMBL182528 0.77 ALKBH2 (0.54) GRM4GRM5KMT2ARAB9AMELK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569592-B2 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2009-08-04 US claimed
EP-1458383-B1 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2007-11-21 EP claimed
EP-1458383-A4 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-05-25 EP claimed
US-20050026963-A1 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME LLC 2005-02-03 US claimed
EP-1458383-A2 HETEROARYL SUBSTITUTED PYRAZOLE 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-2003051833-A2 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-06-26 WO claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
US-7569592-B2 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7569592-B2 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2009-08-04 US disclosed
WO-2003051833-A2 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-06-26 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-20050026963-A1 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRIN2C GRM4 8/4885GRM5 1/4885ALDH1A1 2988/4885

“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.