SCHEMBL2200558

SCHEMBL2200558

CCOC(=O)C1CCN(CCCc2ccc3c(n2)COC3=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
KCNH2 Q12809 2/20 0.45
ALDH1A1 P00352 4/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LTA4H P09960 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL2202947 0.82 KCNH2 (0.45) KCNH2
SCHEMBL2203649 0.79 KCNH2 (0.47) MAPTKCNH2HRH3
SCHEMBL2200986 0.75 KCNH2 (0.45) KCNH2HRH3MEN1KMT2ALMNA
SCHEMBL2198941 0.74 ALDH1A1 (0.43) THRBALDH1A1MEN1KMT2ALMNA
SCHEMBL12431853 0.74 ALDH1A1 (0.43) THRBALDH1A1MEN1KMT2ALMNA
SCHEMBL2198936 0.74 ALDH1A1 (0.43) THRBALDH1A1MEN1KMT2ALMNA
SCHEMBL2202921 0.69 KCNH2 (0.51) KCNH2ALDH1A1
SCHEMBL1414283 0.69 ALDH1A1 (0.67) MAPTALDH1A1MEN1KMT2ALTA4H
SCHEMBL6950591 0.69 MAPT (0.55) MAPTKCNH2ALDH1A1HRH3LTA4H
SCHEMBL15569388 0.69 MAPT (0.62) MAPTKCNH2ALDH1A1LTA4HLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 US disclosed
WO-2007109596-A2 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2007-09-27 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 (2 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-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors REN, JAK2, ABL1 MAPT 4415/4885THRB 1328/4885KCNH2 2775/4885
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS REN, JAK2, ABL1 MAPT 4415/4885THRB 1328/4885KCNH2 2775/4885

“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.