SCHEMBL1758688

SCHEMBL1758688

OCCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.62
GRIN3B O60391 4/20 0.62
GRIN1 Q05586 4/20 0.62
GRIN2A Q12879 4/20 0.62
GRIN2B Q13224 4/20 0.62
GRIN2C Q14957 4/20 0.62
GRIN3A Q8TCU5 4/20 0.62
EPHX2 P34913 6/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GBA1 P04062 2/20 0.44
GBA2 Q9HCG7 2/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL24728057 0.92 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9240799 0.90 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL237474 0.86 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10957944 0.86 GRIN2D (0.76) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3226622 0.82 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11697939 0.80 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5647592 0.77 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1758707 0.77 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1758643 0.77 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL891670 0.77 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12390484-B2 Adenosine derivative and pharmaceutical composition comprising the same BRII BIOSCIENCES, INC. (US) 2025-08-19 US disclosed
US-20240245716-A1 ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME BRII BIOSCIENCES, INC. 2024-07-25 US disclosed
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
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
CN-115197194-A ZESTE enhancer homolog 2 inhibitors and uses thereof 四川海思科制药有限公司 2022-10-18 CN disclosed
WO-2022159872-A1 ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME BRII BIOSCIENCES, INC. (US) 2022-07-28 WO disclosed
US-20220233567-A1 ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME BRII BIOSCIENCES, INC. 2022-07-28 US disclosed
WO-2011058582-A1 HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF FUNGAL INFECTIONS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-05-19 WO disclosed
US-20100324000-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS ALMIRALL, S.A. (ES) 2010-12-23 US disclosed
EP-2212276-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Almirall, S.A. (ES) 2010-08-04 EP disclosed
WO-2009068177-A1 DERIVATIVES OF 4-(2-AMINO-1 -HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2009-06-04 WO disclosed
US-6878736-B1 Histamine H3 receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2005-04-12 US disclosed
EP-1056733-B1 HISTAMINE H3 RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2004-01-07 EP disclosed
EP-1056733-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-12-06 EP disclosed
WO-1999042458-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-08-26 WO disclosed
US-5455072-A Initiation and bonding of diamond and other thin films BENSION ROUVAIN M (US) 1995-10-03 US disclosed
EP-0598361-A1 Initiation and bonding of diamond and other thin films Bension, Rouvain M. (US) 1994-05-25 EP 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 (5 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 GRIN2D 4306/4885GRIN3B 2993/4885GRIN1 4336/4885
US-20100324000-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS ADRB2, ADRB1, ADRA2C GRIN2D 762/4885GRIN3B 971/4885GRIN1 1657/4885
US-20240245716-A1 ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ADAR, ADA, ADORA2A GRIN2D 4306/4885GRIN3B 2993/4885GRIN1 4336/4885
US-12390484-B2 Adenosine derivative and pharmaceutical composition comprising the same ADAR, ADA, ADORA2A GRIN2D 4306/4885GRIN3B 2993/4885GRIN1 4336/4885
US-20220233567-A1 ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ADAR, ADA, ADORA2A GRIN2D 4306/4885GRIN3B 2993/4885GRIN1 4336/4885

“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.