SCHEMBL3705069

SCHEMBL3705069

COc1cc(N2CCC(N3CCCC(O)C3)CC2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM2B Q8NHM5 5/20 0.39
DPP4 P27487 5/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
PDE7A Q13946 1/20 0.38
INSR P06213 1/20 0.38
ALDH1A1 P00352 1/20 0.37
EML4 Q9HC35 1/20 0.37
ALK Q9UM73 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNA5 P22460 2/20 0.36
SCN5A Q14524 2/20 0.36
KCND2 Q9NZV8 2/20 0.36

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
SCHEMBL520117 0.93 SLC6A4 (0.40) CCR4DPP4PDE7AEML4ALK
SCHEMBL519204 0.93 SLC6A4 (0.40) CCR4DPP4PDE7AEML4ALK
SCHEMBL519205 0.93 SLC6A4 (0.40) CCR4DPP4PDE7AEML4ALK
SCHEMBL13177793 0.90 DPP4 (0.40) CCR4L3MBTL3L3MBTL1DPP4INSR
SCHEMBL520836 0.86 L3MBTL1 (0.57) L3MBTL3L3MBTL1INSRALDH1A1ALK
SCHEMBL10206202 0.86 L3MBTL3 (0.53) L3MBTL3L3MBTL1DPP4INSRALDH1A1
SCHEMBL10126749 0.85 DPP4 (0.40) L3MBTL3L3MBTL1DPP4INSRALDH1A1
SCHEMBL10205069 0.85 ALK (0.43) L3MBTL3L3MBTL1DPP4PDE7AINSR
SCHEMBL309548 0.85 L3MBTL1 (0.55) CCR4L3MBTL3L3MBTL1ALDH1A1
SCHEMBL13981638 0.85 L3MBTL1 (0.55) CCR4L3MBTL3L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 CCR4 558/4885L3MBTL3 1879/4885L3MBTL1 2909/4885

“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.