SCHEMBL122391

SCHEMBL122391

Cn1cnc2c1c(=O)n(OC(=O)c1ccccc1O)c(=O)n2C.[CaH2]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.48
ACHE P22303 2/20 0.48
PIK3CD O00329 1/20 0.48
POLB P06746 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CNR1 P21554 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
NTSR1 P30989 1/20 0.48
MC3R P41968 1/20 0.48
NOTUM Q6P988 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
GDA Q9Y2T3 1/20 0.48
NR2E1 Q9Y466 1/20 0.48
TNF P01375 4/20 0.43
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL4453355 0.99 ADORA2B (0.49) ADORA2BACHEPIK3CDPOLBADORA3
SCHEMBL122001 0.98 ADORA2B (0.48) ADORA2BACHEPIK3CDPOLBADORA3
SCHEMBL5430755 0.98 ADORA2B (0.48) ADORA2BACHEPIK3CDPOLBADORA3
Caffeine SCHEMBL667174 0.80 ADORA2B (0.62) ADORA2BACHEPIK3CDPOLBADORA3
Caffeine SCHEMBL2468803 0.78 ADORA2B (0.59) ADORA2BACHEPIK3CDPOLBADORA3
SCHEMBL1764613 0.77 ADORA2B (0.61) ADORA2BACHEPIK3CDPOLBADORA3
SCHEMBL3119654 0.76 ADORA2B (0.60) ADORA2BACHEPIK3CDPOLBADORA3
Caffeine SCHEMBL7614321 0.73 ADORA2B (0.53) ADORA2BACHEPIK3CDPOLBADORA3
SCHEMBL684044 0.71 ADORA2B (0.49) ADORA2BACHEPIK3CDPOLBADORA3
Caffeine SCHEMBL10638955 0.71 ADORA2B (0.73) ADORA2BACHEPIK3CDPOLBADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160008328-A1 Stable Pharmaceutical Package Comprising Azilsartan Medoxomil CADILA HEALTHCARE LIMITED (IN) 2016-01-14 US claimed
US-20040034042-A1 Preservative composition ROHTO PHARMACEUTICAL CO., LTD. (JP) 2004-02-19 US claimed
EP-4743174-A1 MODULATORS OF CALCITONIN RECEPTOR AND/OR AMYLIN RECEPTOR ACTIVITY Aconcagua Bio, Inc. (US) 2026-05-20 EP disclosed
EP-4743175-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Aconcagua Bio, Inc. (US) 2026-05-20 EP disclosed
EP-4735456-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2026-05-06 EP disclosed
US-12595264-B2 Heterocyclic GLP-1 agonists GASHERBRUM BIO, INC. (US) 2026-04-07 US disclosed
US-20260069602-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ACONCAGUA BIO INC (US) 2026-03-12 US disclosed
US-12552791-B2 Heterocyclic GLP-1 agonists GASHERBRUM BIO, INC. (US) 2026-02-17 US disclosed
US-20260042760-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH CALCITONIN RECEPTOR AND/OR AMYLIN RECEPTOR ACTIVITY ACONCAGUA BIO INC (US) 2026-02-12 US disclosed
US-12528781-B2 Heterocyclic GLP-1 agonists GASHERBRUM BIO, INC. (US) 2026-01-20 US disclosed
EP-4665730-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2025-12-24 EP disclosed
EP-1077957-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2001-02-28 EP disclosed
WO-2000000212-A1 PROMOTING NITRIC OXIDE AND CYCLIC GMP ACTIVITY NUTRACORP SCIENTIFIC, INC. (US) 2000-01-06 WO disclosed
WO-1999058510-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-18 WO disclosed
WO-1999034675-A1 PROMOTING MOBILIZATION AND CATABOLISM OF LIPIDS NUTRACORP SCIENTIFIC, INC. (US) 1999-07-15 WO disclosed
WO-1999024040-A1 PROMOTING HORMONE PRODUCTION NUTRACORP SCIENTIFIC, INC. (US) 1999-05-20 WO disclosed
EP-0912181-A1 APPETITE SUPPRESSION Nutracorp Scientific, Inc. (US) 1999-05-06 EP disclosed
WO-1999008681-A1 INDUCING NEUROTRANSMITTER AND NEUROPEPTIDE ACTIVITY NUTRACORP SCIENTIFIC, INC. (US) 1999-02-25 WO disclosed
WO-1998002165-A1 APPETITE SUPPRESSION NUTRACORP SCIENTIFIC, INC. (US) 1998-01-22 WO disclosed
US-4198507-A MUSCLE RELAXANTS, DIURETICS, ANALGESICS HOFFMANN-LA ROCHE INC. (US) 1980-04-15 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 (7 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-20260042760-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH CALCITONIN RECEPTOR AND/OR AMYLIN RECEPTOR ACTIVITY NPY1R, CALCRL, SCTR ADORA2B 625/4885ACHE 2235/4885PIK3CD 3412/4885
US-12552791-B2 Heterocyclic GLP-1 agonists GLP1R, NPY1R, NPY2R ADORA2B 628/4885ACHE 3336/4885PIK3CD 3493/4885
US-20040034042-A1 Preservative composition XDH, XPA, SORBS1 ADORA2B 559/4885ACHE 908/4885PIK3CD 3463/4885
US-20160008328-A1 Stable Pharmaceutical Package Comprising Azilsartan Medoxomil REN, AVPR2, QDPR ADORA2B 1107/4885ACHE 4090/4885PIK3CD 3640/4885
US-12595264-B2 Heterocyclic GLP-1 agonists GLP1R, GIPR, GCGR ADORA2B 930/4885ACHE 3644/4885PIK3CD 3140/4885
US-12528781-B2 Heterocyclic GLP-1 agonists GLP1R, GIPR, VIP ADORA2B 1264/4885ACHE 3252/4885PIK3CD 2015/4885
US-20260069602-A1 COMPOUNDS, COMPOSITIONS, AND METHODS SCTR, SSTR1, NPY1R ADORA2B 557/4885ACHE 2232/4885PIK3CD 3526/4885

“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.