SCHEMBL13479250

SCHEMBL13479250

O=CC1(COC(=O)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
F2 P00734 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PRKCA P17252 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL9269862 0.79 TDP1 (0.55) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL27773060 0.76 TDP1 (0.52) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL1713120 0.75 TDP1 (0.50) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL16290120 0.75 TDP1 (0.50) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL8496636 0.75 TDP1 (0.50) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL8448799 0.74 ALDH1A1 (0.55) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL20288884 0.73 LMNA (0.54) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL4151743 0.73 TDP1 (0.49) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL22624659 0.72 LMNA (0.49) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL18669821 0.72 ALDH1A1 (0.49) TDP1MAPK1HIF1ASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP disclosed
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP disclosed
US-10906915-B2 Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2021-02-02 US disclosed
US-10906915-B2 Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2021-02-02 US disclosed
EP-3551633-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 EP disclosed
EP-3353155-A1 PYRIDYL OR PYRAZINYL COMPOUNDS CARRYING A METHYL-BOUND ALPHA-AMINO ACID AMIDE GROUP AbbVie Deutschland GmbH & Co. KG (DE) 2018-08-01 EP disclosed
WO-2018108230-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 WO disclosed
WO-2018108230-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 WO disclosed
WO-2017050807-A1 PYRIDYL OR PYRAZINYL COMPOUNDS CARRYING A METHYL-BOUND ALPHA-AMINO ACID AMIDE GROUP AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-30 WO disclosed
US-7655699-B1 Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors EISAI INC. (US) 2010-02-02 US disclosed
US-7655699-B1 Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors EISAI INC. (US) 2010-02-02 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 (1 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-10906915-B2 Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors PDE4A, PDE4B, PDE12 TDP1 353/4885MAPK1 2444/4885HIF1A 4044/4885

“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.