SCHEMBL12384397

SCHEMBL12384397

CC(C)(C)C1CCN(C(=O)CC#N)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
CYP2D6 P10635 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 1/20 0.40
HSD11B1 P28845 1/20 0.40
JAK2 O60674 4/20 0.38
JAK3 P52333 4/20 0.38
NPC1 O15118 1/20 0.37
DPP4 P27487 1/20 0.36
JAK1 P23458 4/20 0.36
RORC P51449 1/20 0.35
MAPK8 P45983 1/20 0.35
TYK2 P29597 1/20 0.35
F11 P03951 1/20 0.35

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
SCHEMBL12384656 0.94 MEN1 (0.45) KCNH2CYP2D6HRH3ALDH1A1MEN1
SCHEMBL12384415 0.82 ALDH1A1 (0.38) KCNH2ALDH1A1MEN1MAPTKMT2A
SCHEMBL12384390 0.81 ALDH1A1 (0.48) KCNH2ALDH1A1MEN1MAPTKMT2A
SCHEMBL6421780 0.80 ALDH1A1 (0.58) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL4404024 0.78 HSD11B1 (0.51) KCNH2CYP2D6HRH3ALDH1A1EPHX2
SCHEMBL12384632 0.78 CYP2D6 (0.50) KCNH2CYP2D6HRH3ALDH1A1EPHX2
SCHEMBL13741354 0.78 GPR119 (0.43) KCNH2ALDH1A1MEN1MAPTKMT2A
SCHEMBL11989600 0.78 DPP4 (0.40) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL12424943 0.77 ALDH1A1 (0.43) KCNH2ALDH1A1MEN1MAPTKMT2A
SCHEMBL12513691 0.77 ALDH1A1 (0.43) KCNH2ALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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 KCNH2 2385/4885CYP2D6 274/4885HRH3 83/4885

“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.