SCHEMBL12424637

SCHEMBL12424637

CCC1CCN(C(=O)CCN(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
GNAI3 P08754 8/20 0.44
GNAO1 P09471 8/20 0.44
GNAI1 P63096 8/20 0.44
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD11B1 P28845 1/20 0.41
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL12128403 0.90 DPP8 (0.40) NPC1GNAI3GNAO1GNAI1ITGB3
SCHEMBL14174877 0.86 NPC1 (0.43) NPC1GNAI3GNAO1GNAI1ITGB3
SCHEMBL24491469 0.84 CHRNB2 (0.41) NPC1GNAI3GNAO1GNAI1ITGB3
SCHEMBL18330354 0.83 GNAI3 (0.51) NPC1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL14174867 0.81 NPC1 (0.69) NPC1ALDH1A1
SCHEMBL8430100 0.81 ITGB3 (0.43) NPC1GNAI3GNAO1GNAI1ITGB3
SCHEMBL12384628 0.81 NPC1 (0.44) NPC1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL11981636 0.80 NPC1 (0.47) NPC1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL19502819 0.80 GNAI3 (0.58) NPC1GNAI3GNAO1GNAI1ITGB3
SCHEMBL27429180 0.80 GNAI3 (0.60) NPC1GNAI3GNAO1GNAI1ITGB3

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
WO-2018102419-A1 COMPOUNDS CONTAINING A SULFONIC GROUP AS KAT INHIBITORS Epizyme, Inc. (US) 2018-06-07 WO disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 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 (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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 NPC1 1362/4885GNAI3 3226/4885GNAO1 2674/4885

“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.