SCHEMBL454826

SCHEMBL454826

CC(CS)c1ncccn1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL13663803 0.77 TSHR (0.38)
SCHEMBL14553998 0.77 TSHR (0.38)
SCHEMBL10202056 0.77 TSHR (0.38)
SCHEMBL8683581 0.75 TAAR1 (0.44) NOS3NOS1NOS2
SCHEMBL453189 0.75 HDAC8 (0.33)
SCHEMBL453190 0.75 TRPA1 (0.34)
SCHEMBL20472673 0.75 TRPA1 (0.34)
SCHEMBL1145725 0.73 KMT2A (0.32)
SCHEMBL26199755 0.73 TLR8 (0.34)
SCHEMBL177999 0.73 TSHR (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 EP disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PFIZER INC. (US) 2023-01-24 US disclosed
EP-3861001-A1 BORON CONTAINING PDE4 INHIBITORS Pfizer Inc. (US) 2021-08-11 EP disclosed
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PFIZER INC. (US) 2021-03-16 US disclosed
US-20210069219-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2021-03-11 US disclosed
US-20200108083-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2020-04-09 US disclosed
WO-2020070651-A1 BORON CONTAINING PDE4 INHIBITORS PFIZER INC. (US) 2020-04-09 WO disclosed
US-20150313891-A1 NEURONAL NICOTINIC AGONISTS AND METHODS OF USE ABBVIE INC. 2015-11-05 US disclosed
WO-2015168616-A1 NEURONAL NICOTINIC AGONISTS AND METHODS OF USE ABBVIE INC. (US) 2015-11-05 WO disclosed
EP-1926731-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-04 EP disclosed
WO-2008058096-A2 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2008-05-15 WO disclosed
WO-2007038058-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-04-05 WO disclosed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (11 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-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PDE4B, PDE4A, PDE3B NOS3 69/4885NOS1 49/4885NOS2 57/4885
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 NOS3 2441/4885NOS1 2606/4885NOS2 2911/4885
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 NOS3 1887/4885NOS1 3250/4885NOS2 3395/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 NOS3 2119/4885NOS1 1612/4885NOS2 1908/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 NOS3 1950/4885NOS1 1585/4885NOS2 1857/4885
US-20210069219-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B NOS3 407/4885NOS1 371/4885NOS2 444/4885
US-20150313891-A1 NEURONAL NICOTINIC AGONISTS AND METHODS OF USE CHRNA7, CHRNA2, CHRNA5 NOS3 1190/4885NOS1 1613/4885NOS2 1814/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR NOS3 2711/4885NOS1 2433/4885NOS2 3589/4885
US-20200108083-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B NOS3 407/4885NOS1 371/4885NOS2 444/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B NOS3 407/4885NOS1 371/4885NOS2 444/4885
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PDE4A, PDE4B, PDE12 NOS3 246/4885NOS1 619/4885NOS2 987/4885

“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.