SCHEMBL999150

SCHEMBL999150

CC(C)(C)OC(=O)n1cc(C2(C#N)CC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ACHE P22303 1/20 0.43
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
PIM1 P11309 1/20 0.43
MARK3 P27448 1/20 0.43
MAP4K2 Q12851 1/20 0.43
CAMK2B Q13554 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
EPHX1 P07099 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTR6 P50406 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
NR1H2 P55055 2/20 0.38
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL24728992 0.79 L3MBTL1 (0.48) L3MBTL1ACHEBRD4CREBBPPIM1
SCHEMBL31186267 0.78 L3MBTL1 (0.55) L3MBTL1ACHEBRD4CREBBPPIM1
SCHEMBL2995980 0.78 HTR6 (0.38) L3MBTL1ACHEPIM1MARK3MAP4K2
SCHEMBL1000476 0.75 L3MBTL1 (0.52) L3MBTL1ACHEBRD4CREBBPPIM1
SCHEMBL30912193 0.75 L3MBTL1 (0.50) L3MBTL1ACHEBRD4CREBBPPIM1
SCHEMBL23629399 0.75 L3MBTL1 (0.50) L3MBTL1ACHEBRD4CREBBPPIM1
SCHEMBL25296334 0.74 CTSL (0.34)
SCHEMBL273000 0.74 L3MBTL1 (0.63) L3MBTL1ACHEBRD4CREBBPPIM1
SCHEMBL1196430 0.74 L3MBTL1 (0.59) L3MBTL1ACHEBRD4CREBBPPIM1
SCHEMBL21246906 0.74 L3MBTL1 (0.59) L3MBTL1ACHEBRD4CREBBPPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208999-A1 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-06-27 US disclosed
US-11932657-B2 Heterocyclic compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-03-19 US disclosed
US-20210340157-A1 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-11-04 US disclosed
EP-3847176-A1 HETEROCYCLIC COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2021-07-14 EP disclosed
CN-112654627-A Heterocyclic compounds 大塚制药株式会社 2021-04-13 CN disclosed
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 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 (4 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS L3MBTL1 830/4885ACHE 3577/4885BRD4 246/4885
US-20210340157-A1 HETEROCYCLIC COMPOUND AHR, PDGFRA, PDGFRB L3MBTL1 4662/4885ACHE 4815/4885BRD4 456/4885
US-11932657-B2 Heterocyclic compound AHR, PDGFRA, PDGFRB L3MBTL1 4662/4885ACHE 4815/4885BRD4 456/4885
US-20240208999-A1 HETEROCYCLIC COMPOUND AHR, PDGFRA, PDGFRB L3MBTL1 4662/4885ACHE 4815/4885BRD4 456/4885

“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.