SCHEMBL3763631

SCHEMBL3763631

O=C(Cl)CCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.48
GRIN2D O15399 4/20 0.48
GRIN3B O60391 4/20 0.48
GRIN1 Q05586 4/20 0.48
GRIN2A Q12879 4/20 0.48
GRIN2B Q13224 4/20 0.48
GRIN2C Q14957 4/20 0.48
GRIN3A Q8TCU5 4/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 5/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.41
BPTF Q12830 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL3785168 0.92 EPHX2 (0.43) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24728074 0.87 GRIN2D (0.52) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7337692 0.84 EPHX2 (0.50) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1323193 0.82 EPHX2 (0.48) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6858927 0.82 EPHX2 (0.48) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL660423 0.80 ALDH1A1 (0.53) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13780945 0.80 MEN1 (0.49) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23791655 0.78 EPHX2 (0.46) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2409327 0.77 EPHX2 (0.44) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1074062 0.76 ALDH1A1 (0.57) EPHX2KMT2AALDH1A1TSHRBPTF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4281081-A1 ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Brii Biosciences, Inc. (US) 2023-11-29 EP disclosed
US-11793827-B2 Adenosine derivative and pharmaceutical composition comprising the same BRII BIOSCIENCES, INC. (US) 2023-10-24 US disclosed
US-11793827-B2 Adenosine derivative and pharmaceutical composition comprising the same BRII BIOSCIENCES, INC. (US) 2023-10-24 US disclosed
CN-116710465-A Adenosine derivatives and pharmaceutical compositions containing the same 腾盛博药生物科技有限公司 2023-09-05 CN disclosed
US-20220233567-A1 ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME BRII BIOSCIENCES, INC. 2022-07-28 US disclosed
WO-2022159872-A1 ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME BRII BIOSCIENCES, INC. (US) 2022-07-28 WO disclosed
US-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 US disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20090176853-A1 Adamantane derivatives ALCARAZ LILIAN 2009-07-09 US disclosed
US-20080139636-A1 Adamantane derivatives ASTRAZENECA AB. 2008-06-12 US disclosed
US-7132457-B2 Adamantane derivatives ASTRAZENECA AB (SE) 2006-11-07 US disclosed
WO-2006110516-A1 ACYLHYDRAZIDE P2X7 ANTAGONISTS AND USES THEREOF ABBOTT LABORATORIES (US) 2006-10-19 WO disclosed
US-20050049303-A1 2-Chloro-5-[3-[(2-hydroxyethyl)amino]propyl]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide; preparation from chemical intermediates; use in treating rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA AB 2005-03-03 US disclosed
EP-1242364-B1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1352895-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 EP disclosed
EP-1352896-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 EP disclosed
EP-1352897-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 EP disclosed
CN-1434794-A Adamantane derivatives ASTRAZENECA AB (SE) 2003-08-06 CN disclosed
EP-1242364-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001044170-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-21 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 (6 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-11793827-B2 Adenosine derivative and pharmaceutical composition comprising the same ADAR, ADA, ADORA2A EPHX2 2007/4885GRIN2D 4306/4885GRIN3B 2993/4885
US-20090176853-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 EPHX2 138/4885GRIN2D 665/4885GRIN3B 527/4885
US-20050049303-A1 2-Chloro-5-[3-[(2-hydroxyethyl)amino]propyl]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide; preparation from chemical intermediates; use in treating rheumatoid arthritis, chronic obstructive pulmonary disease HRH1, HRH2, HRH4 EPHX2 248/4885GRIN2D 706/4885GRIN3B 1027/4885
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 EPHX2 3121/4885GRIN2D 367/4885GRIN3B 235/4885
US-20220233567-A1 ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ADAR, ADA, ADORA2A EPHX2 2007/4885GRIN2D 4306/4885GRIN3B 2993/4885
US-20080139636-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 EPHX2 138/4885GRIN2D 665/4885GRIN3B 527/4885

“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.