SCHEMBL1028035

SCHEMBL1028035

O=C(CCO)N1CC=CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 4/20 0.42
DPP4 P27487 4/20 0.42
DPP8 Q6V1X1 2/20 0.42
LMNA P02545 3/20 0.39
NPC1 O15118 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CTSK P43235 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL17787753 0.83 DPP7 (0.49) DPP7DPP4DPP8LMNANPC1
SCHEMBL16712515 0.82 DPP7 (0.51) DPP7DPP4DPP8LMNANPC1
SCHEMBL11892682 0.82 DPP4 (0.49) DPP7DPP4DPP8LMNANPC1
SCHEMBL29008818 0.82 MEN1 (0.35) LMNANPC1TDP1HPGDSMN1; SMN2
SCHEMBL28353718 0.78 DPP7 (0.46) DPP7DPP4DPP8LMNANPC1
SCHEMBL10565863 0.78 L3MBTL1 (0.58) DPP7DPP4DPP8TDP1MEN1
SCHEMBL16565595 0.78 NPC1 (0.40) DPP7DPP4DPP8NPC1
SCHEMBL11843772 0.78 DPP7 (0.44) DPP7DPP4DPP8LMNANPC1
SCHEMBL19432242 0.78 DPP7 (0.44) DPP7DPP4DPP8LMNANPC1
SCHEMBL16271579 0.78 DPP4 (0.51) DPP7DPP4DPP8LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274302-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-01-19 EP claimed
WO-2009123948-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-10-08 WO claimed
US-20110263610-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-10-27 US disclosed
EP-2274302-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-01-19 EP disclosed
WO-2009123948-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-10-08 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-20110263610-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 DPP7 2474/4885DPP4 3420/4885DPP8 2317/4885

“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.