SCHEMBL4035450

SCHEMBL4035450

CC12CC3CC(C)(C1)CC(C#N)(C3)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.46
GRIN2A Q12879 6/20 0.46
GRIN2D O15399 5/20 0.46
GRIN3B O60391 5/20 0.46
GRIN2B Q13224 5/20 0.46
GRIN2C Q14957 5/20 0.46
GRIN3A Q8TCU5 5/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
SLC22A1 O15245 1/20 0.46
ESR1 P03372 1/20 0.46
ADRB3 P13945 1/20 0.46
ACHE P22303 1/20 0.46
OPRK1 P41145 1/20 0.46
MTOR P42345 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL4037506 0.95 GRIN1 (0.41) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL4032400 0.85 GRIN1 (0.34) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL4035447 0.85 GRIN1 (0.34) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL4034415 0.80 MEN1 (0.46) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL3435247 0.80 TSHR (0.37) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL18322217 0.80
SCHEMBL6227789 0.79 MEN1 (0.42) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL2709447 0.77 GRIN1 (0.46) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL7132183 0.77 GRIN1 (0.46) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL812216 0.77 GRIN1 (0.68) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11681222-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2023-06-20 US disclosed
US-20220137508-A9 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2022-05-05 US disclosed
US-20210278764-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2021-09-09 US disclosed
US-11036133-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2021-06-15 US disclosed
US-20200124961-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2020-04-23 US disclosed
US-10620534-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2020-04-14 US disclosed
US-20190278175-A9 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2019-09-12 US disclosed
US-20190025695-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2019-01-24 US disclosed
US-10082733-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2018-09-25 US disclosed
EP-2003148-B1 RADIATION-SENSITIVE RESIN COMPOSITION COMPRISING A FLUORINE-CONTAINING POLYMER JSR CORP (JP) 2017-07-19 EP disclosed
US-20170199453-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2017-07-13 US disclosed
EP-2003148-A9 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2009-04-22 EP disclosed
EP-2003148-A2 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-12-17 EP disclosed
EP-1602975-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-12-07 EP disclosed
US-20030130354-A1 1-(Adamantyl) amidines and their use in the treatment of conditions generally associated with abnormalities in glutamatergic transmission VERNALIS RESEARCH LIMITED 2003-07-10 US disclosed
US-6500866-B1 PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS BY ADMINISTERING N-METHYL-D-ASPARTATE RECEPTOR ANTAGONIST OR PRODRUGS SUCH AS 3,5-DIMETHYL-1-ADAMANTANECARBOXIMIDAMIDE HYDROCHLORIDE VERNALIS RESEARCH LIMITED (GB) 2002-12-31 US disclosed
EP-1037874-B1 1-(ADAMANTYL)AMIDINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RES LTD (GB) 2002-10-09 EP disclosed
EP-1037874-A1 1-(ADAMANTYL)AMIDINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2000-09-27 EP disclosed
WO-1999031051-A1 1-(ADAMANTYL)AMIDINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION CEREBRUS PHARMACEUTICALS LIMITED (GB) 1999-06-24 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-20030130354-A1 1-(Adamantyl) amidines and their use in the treatment of conditions generally associated with abnormalities in glutamatergic transmission SLC1A2, GRIN1, GRM1 GRIN1 2/4885GRIN2A 8/4885GRIN2D 26/4885

“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.