SCHEMBL2925241

SCHEMBL2925241

CC(C)(C)OC(=O)CCCC(N)N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
CTSK P43235 2/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
CYP1A2 P05177 1/20 0.31
STING1 Q86WV6 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
SCHEMBL2336876 0.92 EPHX2 (0.40) EPHX2MEN1GAAKMT2AHDAC8
SCHEMBL2332922 0.92 EPHX2 (0.40) EPHX2MEN1GAAKMT2AHDAC8
SCHEMBL2331646 0.92 EPHX2 (0.40) EPHX2MEN1GAAKMT2AHDAC8
SCHEMBL28302938 0.88 HDAC3 (0.38) EPHX2MEN1GAAKMT2AHDAC8
SCHEMBL11193635 0.86 HDAC8 (0.38) EPHX2MEN1GAAKMT2AHDAC8
SCHEMBL26660516 0.85 EPHX2 (0.35) EPHX2MEN1GAAKMT2AHDAC8
SCHEMBL23416460 0.83 LTA4H (0.39) EPHX2MEN1GAAKMT2AHDAC8
SCHEMBL3176136 0.83 LTA4H (0.39) EPHX2MEN1GAAKMT2AHDAC8
SCHEMBL12463782 0.83 GSR (0.46) MEN1KMT2ATSHRNOS1NOS3
SCHEMBL22878139 0.83 LTA4H (0.39) EPHX2MEN1GAAKMT2AHDAC8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666767-B1 PHTHALAZINONE DERIVATIVES, METHOD FOR THEIR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION COMPRISING THEM, AND THEIR USE SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-12-01 EP disclosed
US-11040952-B2 Phthalazinone compound, method for preparation thereof, pharmaceutical composition thereof, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-06-22 US disclosed
EP-3666767-A1 PYRIDAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-06-17 EP disclosed
US-20200181109-A1 PHTHALAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-06-11 US disclosed
EP-1470101-B1 NEW OPIOID DERIVATIVE TEIKOKU SEIYAKU KK (JP) 2010-09-29 EP disclosed
US-6838580-B2 Opioid derivative TEIKOKU SEIYAKU CO., LTD. (JP) 2005-01-04 US disclosed
US-20030171302-A1 Opioid derivative TEIKOKU SEIYAKU CO., LTD. (JP) 2003-09-11 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 (3 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-20200181109-A1 PHTHALAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF POLRMT, POLN, HCCS EPHX2 3930/4885MEN1 1457/4885GAA 1664/4885
US-20030171302-A1 Opioid derivative OPRD1, OPRM1, OPRK1 EPHX2 4090/4885MEN1 4251/4885GAA 4863/4885
US-11040952-B2 Phthalazinone compound, method for preparation thereof, pharmaceutical composition thereof, and use thereof POLRMT, POLN, HCCS EPHX2 3930/4885MEN1 1457/4885GAA 1664/4885

“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.