SCHEMBL2600246

SCHEMBL2600246

CN1CCOC(C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.51
MAP3K5 Q99683 1/20 0.34
MAP4K4 O95819 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
SLC6A2 P23975 4/20 0.33
CYP2D6 P10635 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACKR3 P25106 1/20 0.32
PPP5C P53041 2/20 0.32
HSD11B1 P28845 1/20 0.32
PPP2CA P67775 1/20 0.32
TFPI2 P48307 1/20 0.32
NPY4R P50391 1/20 0.32

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
SCHEMBL16206588 1.00 PDK1 (0.51) PDK1MAP3K5MAP4K4HTR2AHTR2C
Hydrochloric Acid SCHEMBL1119085 0.98 PDK1 (0.50) PDK1MAP3K5MAP4K4HTR2AHTR2C
SCHEMBL13887630 0.83 PDK1 (0.36) PDK1MAP3K5MAP4K4ACKR3
SCHEMBL18909926 0.83 PDK1 (0.36) PDK1MAP3K5MAP4K4ACKR3
SCHEMBL16160608 0.82 MAP4K4 (0.37) PDK1MAP3K5MAP4K4SLC6A2CYP2D6
SCHEMBL1206257 0.82 PDK1 (0.35) PDK1MAP3K5MAP4K4
SCHEMBL1515598 0.82 MAP4K4 (0.37) PDK1MAP3K5MAP4K4SLC6A2CYP2D6
SCHEMBL27985446 0.82 PDK1 (0.35) PDK1MAP3K5MAP4K4
SCHEMBL16160601 0.82 MAP4K4 (0.37) PDK1MAP3K5MAP4K4SLC6A2CYP2D6
SCHEMBL24690484 0.79 HRH3 (0.33) PDK1MAP3K5SLC6A2CYP2D6SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115261647-A Morpholine carboxylic acid ionic liquid and method for extracting and separating samarium by using same 成都理工大学 2022-11-01 CN claimed
EP-3083556-B1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2019-12-25 EP claimed
US-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ALMIRALL, S.A. (ES) 2008-11-06 US claimed
EP-1888565-A2 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2008-02-20 EP claimed
WO-2006110884-A2 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2006-10-19 WO claimed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
WO-2023235384-A1 COMPOUNDS FOR ENHANCING READ THROUGH OF GENES CONTAINING PREMATURE TERMINATION CODONS AND METHODS FOR MAKING AND USING THE SAME SANOFI US SERVICES INC. (US) 2023-12-07 WO disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS INC (US) 2023-10-26 US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
CN-1029971-C Process for preparating antiviral tetrahydroimidazo (1,4) benzodiazepines JANSSEN PHARMACEUTICA NV (BE) 1995-10-11 CN disclosed
CN-1076928-A 1-[2-arylsulfonyl amino)-and the 1-oxoethyl] piperidine derivative and preparation and the application in treatment SYNTHELABO (FR) 1993-10-06 CN disclosed
EP-0226267-B1 OXA-, THIA- AND DIAZABICYCLOALKANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BEECHAM GROUP PLC (GB) 1993-01-13 EP disclosed
EP-0230179-B1 4-MORPHOLINYL 1H-INDOLE DERIVATIVES, THEIR SALTS, PROCESS AND INTERMEDIATES OF PREPARATION, USE AS THERAPEUTIC AGENTS, COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1992-09-30 EP disclosed
CN-1050192-A Prepare the also method of [1,4] benzodiazepine of antiviral imidazolidine JANSSEN PHARMACEUTICA NV (BE) 1991-03-27 CN disclosed
US-4883874-A Azabicyclic intermediates BEECHAM GROUP PLC. OF BEECHAM HOUSE (GB) 1989-11-28 US disclosed
US-4826839-A GASTROINTESTINAL DISORDERS, HEADACHES BEECHAM GROUP P.L.C. (GB) 1989-05-02 US disclosed
EP-0230179-A2 4-Morpholinyl 1H-indole derivatives, their salts, process and intermediates of preparation, use as therapeutic agents, compositions containing them ROUSSEL-UCLAF (FR) 1987-07-29 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-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF PDK1 430/4885MAP3K5 28/4885MAP4K4 57/4885
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OGFR PDK1 2926/4885MAP3K5 1295/4885MAP4K4 1041/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS PDK1 1969/4885MAP3K5 1602/4885MAP4K4 1728/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 PDK1 2050/4885MAP3K5 4476/4885MAP4K4 4660/4885
US-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ADORA2A, ADORA3, ADORA1 PDK1 1410/4885MAP3K5 3453/4885MAP4K4 3686/4885

“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.