SCHEMBL42467

SCHEMBL42467

CC(C)N(C(=O)O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
P2RX4 Q99571 2/20 0.32
P2RX1 P51575 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX7 Q99572 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC7A5 Q01650 1/20 0.32
BCHE P06276 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SRD5A2 P31213 1/20 0.31

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
SCHEMBL150601 0.97 TP53 (0.37) TP53P2RX4P2RX1P2RX3P2RX7
SCHEMBL8985021 0.97 TP53 (0.37) TP53P2RX4P2RX1P2RX3P2RX7
SCHEMBL8386961 0.97 TP53 (0.37) TP53P2RX4P2RX1P2RX3P2RX7
SCHEMBL8985028 0.97 TP53 (0.37) TP53P2RX4P2RX1P2RX3P2RX7
SCHEMBL673528 0.97 TP53 (0.37) TP53P2RX4P2RX1P2RX3P2RX7
SCHEMBL672963 0.97 TP53 (0.37) TP53P2RX4P2RX1P2RX3P2RX7
Hydrochloric Acid SCHEMBL4680206 0.97 TP53 (0.37) TP53P2RX4P2RX1P2RX3P2RX7
SCHEMBL638833 0.97 TP53 (0.37) TP53P2RX4P2RX1P2RX3P2RX7
Hydrazine SCHEMBL16039959 0.94 TP53 (0.35) TP53P2RX4P2RX1P2RX3P2RX7
Cyclohexane SCHEMBL3905056 0.91 ADH1B (0.34) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP claimed
EP-2945960-A2 ABIRATERONE AND ANALOGS THEREOF FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CORTISOL OVERPRODUCTION Cortendo AB (publ) (US) 2015-11-25 EP claimed
WO-2014111815-A2 ABIRATERONE AND ANALOGS THEREOF FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CORTISOL OVERPRODUCTION CORTENDO AB (PUBL) (US) 2014-07-24 WO claimed
EP-2693876-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2014-02-12 EP claimed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 WO claimed
JP-4795589-B2 2011-10-19 JP claimed
EP-1747201-B1 2H OR 3H-BENZO[E]INDAZOL-1-YLE CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-10-15 EP claimed
EP-1272500-B1 PROCESS FOR PREPARING 6-O-ALKENYL-SUBSITUTED ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2005-05-04 EP claimed
EP-1272500-A2 PROCESS FOR PREPARING 6-O-ALKENYL-SUBSITUTED ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 2003-01-08 EP claimed
WO-2000078773-A2 PROCESS FOR PREPARING 6-O-ALKENYL-SUBSTITUTED ERYTHROMYCIN DERIV ATIVES ABBOTT LABORATORIES (US) 2000-12-28 WO claimed
EP-0238883-B1 OXABICYCLOHEPTANE DERIVATIVES, PHARMACEUTICAL COMPOSITION AND USE SUNTORY LIMITED (JP) 1990-05-09 EP claimed
US-4713453-A TREATMENT OF BRAIN DISORDERS Suntori Limited (JP) 1987-12-15 US claimed
EP-0238883-A1 Oxabicycloheptane derivatives, pharmaceutical composition and use SUNTORY LIMITED (JP) 1987-09-30 EP claimed
US-20240228449-A1 METHOD FOR PREPARING TERTIARY AMINE WITH SECONDARY AMINE AS RAW MATERIAL ZHEJIANG XINHUA CHEMICAL CO., LTD (CN) 2024-07-11 US disclosed
US-20240166603-A1 Method of Treating Cancer With Atpenin A5 Derviatives UNIV TEXAS TECH SYSTEM (US) 2024-05-23 US disclosed
CN-114615999-B Drug antibody conjugates 法马马有限公司 2024-03-08 CN disclosed
US-4851291-A Temperature adaptable textile fibers and method of preparing same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1989-07-25 US disclosed
EP-0311642-A1 TEMPERATURE ADAPTABLE TEXTILE FIBERS AND METHOD OF PREPARING SAME. US COMMERCE (US) 1989-04-19 EP disclosed
WO-1987007854-A1 TEMPERATURE ADAPTABLE TEXTILE FIBERS AND METHOD OF PREPARING SAME UNITED STATES OF AMERICA, REPRESENTED BY THE SECRE (US) 1987-12-30 WO disclosed
EP-0188383-A2 Imidazole derivatives, their preparation and therapeutic use SANKYO COMPANY LIMITED (JP) 1986-07-23 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 (2 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-20240228449-A1 METHOD FOR PREPARING TERTIARY AMINE WITH SECONDARY AMINE AS RAW MATERIAL OTC, AOC1, ODC1 TP53 2223/4885P2RX4 1768/4885P2RX1 1290/4885
US-20240166603-A1 Method of Treating Cancer With Atpenin A5 Derviatives ATP5MG, ATP5ME, ATP5MK TP53 75/4885P2RX4 346/4885P2RX1 271/4885

“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.