SCHEMBL43103

SCHEMBL43103

CC(C)N(C([NH])=O)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.31
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX7 Q99572 1/20 0.31
BCHE P06276 1/20 0.30
TP53 P04637 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
SCHEMBL10871210 0.72 P2RX4 (0.33) P2RX4P2RX1P2RX3P2RX7BCHE
SCHEMBL8439081 0.72 P2RX4 (0.33) P2RX4P2RX1P2RX3P2RX7BCHE
SCHEMBL42610 0.71 TSHR (0.32)
SCHEMBL1552556 0.71
SCHEMBL42466 0.69 P2RX4 (0.32) P2RX4P2RX1P2RX3P2RX7BCHE
SCHEMBL42467 0.69 TP53 (0.39) P2RX4P2RX1P2RX3P2RX7BCHE
SCHEMBL82497 0.69 TSHR (0.33) P2RX4P2RX1P2RX3P2RX7BCHE
SCHEMBL6226780 0.67 TP53 (0.32) TP53
SCHEMBL7778347 0.67 ALDH1A1 (0.36) BCHETP53
SCHEMBL23982597 0.67 P2RX4 (0.31) P2RX4P2RX1P2RX3P2RX7BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026088-B Oxadiazole derivatives as HDAC inhibitors 武田药品工业株式会社 2021-02-12 CN disclosed
EP-3325475-B1 OXADIAZOLE DERIVATIVES USEFUL AS HDAC INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-03-18 EP disclosed
EP-2939675-B1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES LTD (JP) 2019-09-04 EP disclosed
US-10308643-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
US-10149840-B2 OCT3 activity inhibitor containing imidazopyridine derivative as active component, and OCT3 detection agent SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2018-12-11 US disclosed
EP-3325475-A1 OXADIAZOLE DERIVATIVES USEFUL AS HDAC INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2018-05-30 EP disclosed
US-20180000797-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2018-01-04 US disclosed
WO-2017014321-A1 OXADIAZOLE DERIVATIVES USEFUL AS HDAC INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-26 WO disclosed
US-20170015655-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-19 US disclosed
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-05-05 US disclosed
EP-0474561-A1 Arylalkylamines, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-03-11 EP disclosed
EP-0428434-A2 Compounds of aromatic amines and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1991-05-22 EP disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 EP disclosed
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
EP-0280951-A1 Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates Roche Diagnostics GmbH (DE) 1988-09-07 EP disclosed
US-4696931-A CARDIOVASCULAR DISORDERS, CARDIOTONIC AGENTS DR. KARL THOMAE GMBH (DE) 1987-09-29 US disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 EP disclosed
US-4582837-A Imidazo[4,5-b] and [4,5-c]pyridine derivatives having cardiotonic activity DR. KARL THOMAE GMBH (DE) 1986-04-15 US disclosed
EP-0098448-A2 Imidazole derivatives, their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1984-01-18 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 (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-10149840-B2 OCT3 activity inhibitor containing imidazopyridine derivative as active component, and OCT3 detection agent SLCO1B3, SLC22A8, SLCO4C1 P2RX4 667/4885P2RX1 983/4885P2RX3 317/4885
US-20180000797-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SLCO1B3, SLC22A8, SLCO4C1 P2RX4 667/4885P2RX1 983/4885P2RX3 317/4885
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C P2RX4 172/4885P2RX1 229/4885P2RX3 208/4885
US-20170015655-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC11, HDAC5 P2RX4 3697/4885P2RX1 3281/4885P2RX3 3102/4885
US-10308643-B2 Heterocyclic compound HDAC1, HDAC11, HDAC5 P2RX4 3697/4885P2RX1 3281/4885P2RX3 3102/4885

“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.