SCHEMBL17807828

SCHEMBL17807828

CC(C)c1cnc2[nH]c(=O)n(C(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
MTOR P42345 1/20 0.42
POLB P06746 2/20 0.41
PGR P06401 7/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2B6 P20813 1/20 0.37
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
CYP1A2 P05177 1/20 0.35
ADORA2B P29275 2/20 0.34
ADORA2A P29274 1/20 0.34
B3GNT2 Q9NY97 1/20 0.34

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
SCHEMBL17813540 0.83 PDE3B (0.45) CYP3A4GRIN1GRIN2BADORA2BADORA2A
SCHEMBL19836475 0.81 AURKA (0.42) MAOBMTORPOLBPGRGRIN1
SCHEMBL11248826 0.76 PDE3B (0.49) MTORPGRGRIN1GRIN2B
SCHEMBL5956308 0.74 POLB (0.44) MAOBMTORPOLBPGRCYP3A4
SCHEMBL17807767 0.72 MAOB (0.68) MAOBPOLBPGRB3GNT2
SCHEMBL17807757 0.72 CNR2 (0.32) MAOB
SCHEMBL828462 0.71 DAO (0.58) MTORPOLBPGRCYP3A4CYP2B6
SCHEMBL17807798 0.71 CASR (0.35) MAOB
SCHEMBL31425656 0.70 PGR (0.43) MAOBMTORPOLBPGRCYP3A4
SCHEMBL17807776 0.70 CASR (0.36) MAOB

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-10772892-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2020-09-15 US disclosed
US-10363257-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-07-30 US disclosed
US-10010556-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-07-03 US disclosed
US-20180161337-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2018-06-14 US disclosed
US-20180161337-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2018-06-14 US disclosed
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 US disclosed
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. 2016-06-09 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 (6 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-10363257-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 MAOB 3305/4885MTOR 2397/4885POLB 385/4885
US-10010556-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 MAOB 3305/4885MTOR 2397/4885POLB 385/4885
US-10772892-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 MAOB 3305/4885MTOR 2397/4885POLB 385/4885
US-20180161337-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 MAOB 3934/4885MTOR 2445/4885POLB 413/4885
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 MAOB 3934/4885MTOR 2445/4885POLB 413/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 MAOB 3934/4885MTOR 2445/4885POLB 413/4885

“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.