SCHEMBL1807296

SCHEMBL1807296

O=C(O)[C@@H]1C[C@H]2C[C@@H](COCc3nnn[nH]3)CC[C@H]2CN1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.53
GRIA2 P42262 2/20 0.53
GRIA3 P42263 2/20 0.53
GRIA4 P48058 2/20 0.53
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIK1 P39086 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL13319977 1.00 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL6493867 1.00 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL1811917 1.00 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL3182737 1.00 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8252920 0.90 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL2783303 0.85 GRIA2 (0.64) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL20553364 0.85 GRIA2 (0.64) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8867563 0.85 GRIA2 (0.64) GRIA1GRIA2GRIA3GRIA4GRIN2D
Tezampanel Anhydrous SCHEMBL3688366 0.83 GRIA1 (0.65) GRIA1GRIA2GRIA3GRIA4GRIN2D
Tezampanel Anhydrous SCHEMBL3227089 0.83 GRIA1 (0.65) GRIA1GRIA2GRIA3GRIA4GRIN2D

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160257957-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF ANGELMAN SYNDROME AND AUTISM SPECTRUM DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-09-08 US claimed
US-20130225623-A1 Methods of Treating Psychiatric or Neurological Disorders with MGLUR Antagonists MOUNT SINAI SCHOOL OF MEDICINE (US) 2013-08-29 US claimed
US-20130058915-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF ANGELMAN SYNDROME AND AUTISM SPECTRUM DISORDERS Children's Medica Center Corporation (US) 2013-03-07 US claimed
EP-2544688-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF ANGELMAN SYNDROME AND AUTISM SPECTRUM DISORDERS President and Fellows of Harvard College (US) 2013-01-16 EP claimed
WO-2011109398-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF ANGELMAN SYNDROME AND AUTISM SPECTRUM DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-09-09 WO claimed
WO-2011053636-A1 METHODS OF TREATING PSYCHIATRIC OR NEUROLOGICAL DISORDERS WITH MGLUR ANTAGONISTS MOUNT SINAI SCHOOL OF MEDICINE (US) 2011-05-05 WO claimed
US-20040192722-A1 Selective iGluR5 receptor antagonists FILLA SANDRA ANN (US) 2004-09-30 US claimed
US-20040067978-A1 Methods of treating disorders with Group I mGluR antagonists BROWN UNIVERSITY RESEARCH FOUNDATION (BURF) (US) 2004-04-08 US claimed
US-20030100539-A1 Methods of treating neurological disorders with group I mGluR antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-29 US claimed
US-6242462-B1 NOVEL DECAHYDROISOQUINOLINE DERIVATIVES WHICH ARE SELECTIVE GLUR5 RECEPTOR ANTAGONISTS. ELI LILLY AND COMPANY 2001-06-05 US claimed
WO-2023042888-A1 PHARMACEUTICAL COMPOSITION FOR TREATING COGNITIVE DECLINE OR FOR TREATING OVERWEIGHTNESS OR OBESITY 国立大学法人 琉球大学 2023-03-23 WO disclosed
WO-2023042887-A1 PHARMACEUTICAL COMPOSITION FOR USE IN TREATING COGNITIVE DECLINE, EXCESS WEIGHT, OR OBESITY 国立大学法人 琉球大学 2023-03-23 WO disclosed
US-20160257957-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF ANGELMAN SYNDROME AND AUTISM SPECTRUM DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-09-08 US disclosed
EP-2544688-B1 METHODS AND COMPOSITIONS FOR TREATMENT OF ANGELMAN SYNDROME HARVARD COLLEGE (US) 2016-09-07 EP disclosed
US-20150359766-A1 METHODS OF TREATING AUTISM WITH mGluR5 ANTAGONISTS UNIV BROWN (US) 2015-12-17 US disclosed
US-20040192722-A1 Selective iGluR5 receptor antagonists FILLA SANDRA ANN (US) 2004-09-30 US disclosed
US-6759418-B2 6-(((2S)-2-(ALKOXYCABONYL)-4,4-DIFLUOROPYRROLIDINYL)METHYL)-1, 2, 3.4, 4A, 5, 6, 7, 8, 8A-DECAHYDROISOQUINOLINE-3-CARBOXYLATE, OR ACID DERIVATIVES, USEFUL FOR TREATING MIGRAINE, AND DURAL PROTEIN EXTRAVASATION ELI LILLY AND COMPANY 2004-07-06 US disclosed
US-20040067978-A1 Methods of treating disorders with Group I mGluR antagonists BROWN UNIVERSITY RESEARCH FOUNDATION (BURF) (US) 2004-04-08 US disclosed
US-20030100539-A1 Methods of treating neurological disorders with group I mGluR antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-29 US disclosed
US-6242462-B1 NOVEL DECAHYDROISOQUINOLINE DERIVATIVES WHICH ARE SELECTIVE GLUR5 RECEPTOR ANTAGONISTS. ELI LILLY AND COMPANY 2001-06-05 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 (4 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-20040192722-A1 Selective iGluR5 receptor antagonists GRM5, GRIK5, GPR35 GRIA1 44/4885GRIA2 35/4885GRIA3 24/4885
US-20030100539-A1 Methods of treating neurological disorders with group I mGluR antagonists GRM5, GRIK5, GRIN1 GRIA1 21/4885GRIA2 23/4885GRIA3 18/4885
US-20150359766-A1 METHODS OF TREATING AUTISM WITH mGluR5 ANTAGONISTS GRM5, GRIK5, GRIK4 GRIA1 26/4885GRIA2 23/4885GRIA3 18/4885
US-20040067978-A1 Methods of treating disorders with Group I mGluR antagonists GRM5, GRIK5, GRM2 GRIA1 15/4885GRIA2 18/4885GRIA3 14/4885

“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.