SCHEMBL4297694

SCHEMBL4297694

CCC(O)N1CCN(CC)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
CHRNA7 P36544 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP2D6 P10635 2/20 0.32
DUSP3 P51452 2/20 0.32
PTPN5 P54829 2/20 0.32
PTPN11 Q06124 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL3923601 0.87
SCHEMBL636365 0.87 TSHR (0.37) KMT2AMEN1
SCHEMBL12676697 0.84 MAPT (0.32) ALDH1A1KMT2AMEN1KDM4E
SCHEMBL25668428 0.84 MAPT (0.37) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL8767704 0.78 KDM4E (0.35) ALDH1A1KDM4ECYP2D6CYP1A2
SCHEMBL2315590 0.78 KDM4E (0.39) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL1404051 0.78 KDM4E (0.35) ALDH1A1KDM4ECYP2D6CYP1A2
SCHEMBL841130 0.77
SCHEMBL11391893 0.77 OPRD1 (0.40)
SCHEMBL3423348 0.77 SLC6A9 (0.45) ALDH1A1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
WO-2009156214-A1 RECOMBINANT CELL PRODUCING 2-HYDROXYISOBUTYRIC ACID EVONIK RÖHM GMBH (DE) 2009-12-30 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 (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-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS ALDH1A1 137/4885L3MBTL1 2667/4885KMT2A 3200/4885

“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.