SCHEMBL4713299

SCHEMBL4713299

C=CCOC(=O)C1CCC(N)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MAPT P10636 3/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 4/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.31
HSD11B1 P28845 1/20 0.31
TP53 P04637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CASP1 P29466 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4713300 1.00 KMT2A (0.40) KMT2AMAPTCACNA1BAPBA1ALDH1A1
Hydrochloric Acid SCHEMBL6347037 0.98 KMT2A (0.39) KMT2AMAPTCACNA1BAPBA1ALDH1A1
Hydrochloric Acid SCHEMBL6347040 0.98 KMT2A (0.39) KMT2AMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL423892 0.90 KMT2A (0.47) KMT2AMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL719931 0.90
SCHEMBL11769670 0.83 KMT2A (0.41) KMT2AMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL1219520 0.83 KMT2A (0.41) KMT2AMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL6350238 0.82 ALDH1A1 (0.44) KMT2AMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL7133197 0.82 ALDH1A1 (0.41) KMT2AMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL7371774 0.82 PLG (0.48) KMT2AMAPTCACNA1BAPBA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3822274-B1 SYNTHETIC INTERMEDIATES USEFUL FOR PREPARING SUBSTITUTED AMINOPURINE COMPOUNDS SIGNAL PHARM LLC (US) 2024-03-06 EP disclosed
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-05-25 US disclosed
US-11590139-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2023-02-28 US disclosed
CN-109069512-B Substituted aminopurine compounds, compositions thereof, and related methods of treatment 西格诺药品有限公司 2022-06-14 CN disclosed
CN-113248506-A Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2021-08-13 CN disclosed
EP-3822274-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2021-05-19 EP disclosed
US-20210128565-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2021-05-06 US disclosed
CN-107001372-B Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2021-04-27 CN disclosed
US-10940152-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2021-03-09 US disclosed
EP-3204386-B1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2021-03-03 EP disclosed
JP-2004352654-A METHOD FOR SEPARATING CIS/TRANS ISOMER MIXTURE OF 4-AMINOCYCLOHEXANECARBOXYLIC ACID ALKYL ESTER NEW JAPAN CHEM CO LTD 2004-12-16 JP disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 US disclosed
EP-1476158-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2004-11-17 EP disclosed
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2004-11-11 US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 US disclosed
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases PFIZER INC. 2003-11-27 US disclosed
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2003-11-27 US disclosed
WO-2003068233-A1 NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES PFIZER LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068235-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2003-08-21 WO disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 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 (9 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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 KMT2A 3485/4885MAPT 2836/4885CACNA1B 1127/4885
US-10940152-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith TPMT, MGMT, TYMP KMT2A 382/4885MAPT 1464/4885CACNA1B 4668/4885
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP KMT2A 382/4885MAPT 1464/4885CACNA1B 4668/4885
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases NNT, IL5, NOX5 KMT2A 2623/4885MAPT 2477/4885CACNA1B 495/4885
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C KMT2A 2770/4885MAPT 3723/4885CACNA1B 2969/4885
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C KMT2A 2770/4885MAPT 3723/4885CACNA1B 2969/4885
US-11590139-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith TPMT, MGMT, TYMP KMT2A 382/4885MAPT 1464/4885CACNA1B 4668/4885
US-20210128565-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP KMT2A 382/4885MAPT 1464/4885CACNA1B 4668/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 KMT2A 2980/4885MAPT 3375/4885CACNA1B 1293/4885

“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.