SCHEMBL7198149

SCHEMBL7198149

O=C(NC1CCCC1)OCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.81
ALDH1A1 P00352 4/20 0.76
GAA P10253 1/20 0.76
TSHR P16473 1/20 0.72
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
DPP4 P27487 1/20 0.60
KCNH2 Q12809 1/20 0.60
DPP7 Q9UHL4 1/20 0.60
CTSL P07711 1/20 0.60
CTSB P07858 1/20 0.60
CTSK P43235 1/20 0.60
EPHX2 P34913 1/20 0.59
RAB9A P51151 1/20 0.58
SGMS2 Q8NHU3 1/20 0.57

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
SCHEMBL8393719 0.98 EPHX1 (0.84) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL1424064 0.98 EPHX1 (0.84) EPHX1ALDH1A1GAATSHRMEN1
Bicarbonate SCHEMBL6203780 0.97 EPHX1 (0.82) EPHX1ALDH1A1GAATSHRMEN1
Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL332814 0.97 EPHX1 (0.76) EPHX1ALDH1A1GAATSHRMEN1
Methyl Alcohol SCHEMBL6780968 0.95 EPHX1 (0.80) EPHX1ALDH1A1GAATSHRMEN1
Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL579215 0.95 EPHX1 (0.74) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL14612363 0.94 EPHX1 (0.78) EPHX1ALDH1A1GAATSHRMEN1
Dimethylamine SCHEMBL8326428 0.94 EPHX1 (0.78) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL3948456 0.93 ALDH1A1 (0.85) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL381922 0.93 ALDH1A1 (0.85) EPHX1ALDH1A1GAATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255922-A1 TREPROSTINIL PRODRUGS UNITED THERAPEUTICS CORPORATION (US) 2023-08-17 US disclosed
US-11672775-B2 Treprostinil prodrugs UNITED THERAPEUTICS CORPORATION (US) 2023-06-13 US disclosed
US-20230133465-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING NEURODEGENERATIVE DISORDERS ALZHEON, INC. 2023-05-04 US disclosed
US-20210121433-A1 TREPROSTINIL PRODRUGS UNITED THERAPEUTICS CORPORATION (US) 2021-04-29 US disclosed
CN-110678174-A Prodrugs of treprostinil 联合治疗学有限公司 2020-01-10 CN disclosed
EP-3515430-A1 TREPROSTINIL PRODRUGS United Therapeutics Corporation (US) 2019-07-31 EP disclosed
CN-109966294-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-07-05 CN disclosed
CN-109897038-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-06-18 CN disclosed
US-20180153847-A1 TREPROSTINIL PRODRUGS UNITED THERAPEUTICS CORPORATION (US) 2018-06-07 US disclosed
WO-2018058124-A1 TREPROSTINIL PRODRUGS UNITED THERAPEUTICS CORPORATION (US) 2018-03-29 WO disclosed
WO-2002024629-A1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-03-28 WO disclosed
EP-0858444-A4 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-12-01 EP disclosed
WO-1999012034-A1 AMINE COMPOUNDS AND COMBINATORIAL LIBRARIES COMPRISING SAME ISIS PHARMACEUTICALS, INC. (US) 1999-03-11 WO disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
EP-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
WO-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 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 (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-20230133465-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING NEURODEGENERATIVE DISORDERS PSEN2, CLN6, PSEN1 EPHX1 1134/4885ALDH1A1 1785/4885GAA 41/4885
US-20180153847-A1 TREPROSTINIL PRODRUGS TYMP, TK1, DCTPP1 EPHX1 394/4885ALDH1A1 758/4885GAA 1102/4885
US-20210121433-A1 TREPROSTINIL PRODRUGS TYMP, TK1, DCTPP1 EPHX1 394/4885ALDH1A1 758/4885GAA 1102/4885
US-11672775-B2 Treprostinil prodrugs TYMP, TK1, DCTPP1 EPHX1 394/4885ALDH1A1 758/4885GAA 1102/4885
US-20230255922-A1 TREPROSTINIL PRODRUGS TYMP, TK1, DCTPP1 EPHX1 394/4885ALDH1A1 758/4885GAA 1102/4885

“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.