SCHEMBL874424

SCHEMBL874424

CC(C)(OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 3/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
LMNA P02545 2/20 0.46
HCAR2 Q8TDS4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAOB P27338 1/20 0.44
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL13144047 0.90 ALDH1A1 (0.53) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL28941243 0.87 LMNA (0.47) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL23135840 0.86 ALDH1A1 (0.56) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL10349973 0.86 MEN1 (0.49) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL22950322 0.85 ALDH1A1 (0.49) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
Ammonia Solution, Strong SCHEMBL27981035 0.84 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL26356799 0.84 ALDH1A1 (0.58) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL522510 0.83 ALDH1A1 (0.62) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL991531 0.83 ALDH1A1 (0.62) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL883026 0.83 SLC16A3 (0.55) ALDH1A1TDP1KMT2AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472810-B2 Imidazopyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2022-10-18 US disclosed
US-20210238182-A1 IMIDAZOPYRAZINONES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2021-08-05 US disclosed
US-10912773-B2 Combinations comprising substituted imidazo[1,5-a]pyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2021-02-09 US disclosed
US-10905688-B2 Combinations comprising substituted imidazo[1,5-α]pyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2021-02-02 US disclosed
US-10858362-B2 Imidazopyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2020-12-08 US disclosed
EP-3532064-B1 COMBINATION TREATMENTS COMPRISING IMIDAZOPYRAZINONES FOR THE TREATMENT OF PSYCHIATRIC AND/OR COGNITIVE DISORDERS H LUNDBECK AS (DK) 2020-07-29 EP disclosed
US-20190282571-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF IMIDAZOPYRAZINONES H. LUNDBECK A/S (DK) 2019-09-19 US disclosed
US-20190282572-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF IMIDAZOPYRAZINONES H. LUNDBECKA/S (DK) 2019-09-19 US disclosed
EP-3532053-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF IMIDAZOPYRAZINONES H. Lundbeck A/S (DK) 2019-09-04 EP disclosed
EP-3532064-A1 COMBINATION TREATMENTS COMPRISING IMIDAZOPYRAZINONES FOR THE TREATMENT OF PSYCHIATRIC AND/OR COGNITIVE DISORDERS H. Lundbeck A/S (DK) 2019-09-04 EP disclosed
WO-2013142269-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2013-09-26 WO disclosed
CN-103313988-A Imidazotriazinone compounds ENVIVO PHARMACEUTICALS INC 2013-09-18 CN disclosed
EP-2619208-A1 IMIDAZOTRIAZINONE COMPOUNDS Envivo Pharmaceuticals, Inc. (US) 2013-07-31 EP disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 US disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 US disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 US disclosed
WO-2012040230-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2012-03-29 WO disclosed
WO-2012040230-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2012-03-29 WO disclosed
US-20090082464-A1 EXTERNALLY MASKED NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-26 US disclosed
WO-2009033079-A1 EXTERNALLY MASKED NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 WO 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 (9 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-20190282571-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF IMIDAZOPYRAZINONES PDE12, PDE1B, PDE1A ALDH1A1 421/4885TDP1 37/4885KMT2A 786/4885
US-10858362-B2 Imidazopyrazinones as PDE1 inhibitors PDE12, PDE4A, PDE5A ALDH1A1 110/4885TDP1 23/4885KMT2A 1107/4885
US-20210238182-A1 IMIDAZOPYRAZINONES AS PDE1 INHIBITORS PDE12, PDE4A, PDE5A ALDH1A1 110/4885TDP1 23/4885KMT2A 1107/4885
US-11472810-B2 Imidazopyrazinones as PDE1 inhibitors PDE12, PDE4A, PDE5A ALDH1A1 110/4885TDP1 23/4885KMT2A 1107/4885
US-20090082464-A1 EXTERNALLY MASKED NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE AASDHPPT, ADSL, NAPEPLD ALDH1A1 1147/4885TDP1 1752/4885KMT2A 3274/4885
US-10912773-B2 Combinations comprising substituted imidazo[1,5-a]pyrazinones as PDE1 inhibitors PDE5A, PDE3A, PDE12 ALDH1A1 151/4885TDP1 19/4885KMT2A 1427/4885
US-10905688-B2 Combinations comprising substituted imidazo[1,5-α]pyrazinones as PDE1 inhibitors PDE1A, PDE12, PDE1B ALDH1A1 92/4885TDP1 20/4885KMT2A 1168/4885
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 ALDH1A1 504/4885TDP1 116/4885KMT2A 1812/4885
US-20190282572-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF IMIDAZOPYRAZINONES PDE12, PDE4A, PDE1A ALDH1A1 602/4885TDP1 20/4885KMT2A 1302/4885

“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.