SCHEMBL4598673

SCHEMBL4598673

O=C(Cl)C1CC2CCCC(C2)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.37
CHRNA4 P43681 5/20 0.37
CHRNA3 P32297 4/20 0.37
CHRNB4 P30926 3/20 0.37
HSD11B1 P28845 2/20 0.33
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CHRNA7 P36544 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 1/20 0.30
GRM1 Q13255 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL15467085 0.79 EPHX2 (0.41) CHRNB2CHRNA4CHRNA3CHRNB4HSD11B1
SCHEMBL14791316 0.79 EPHX2 (0.41) CHRNB2CHRNA4CHRNA3CHRNB4HSD11B1
SCHEMBL9959795 0.79 EPHX2 (0.41) CHRNB2CHRNA4CHRNA3CHRNB4HSD11B1
SCHEMBL9959799 0.79 EPHX2 (0.41) CHRNB2CHRNA4CHRNA3CHRNB4HSD11B1
SCHEMBL854725 0.79 EPHX2 (0.41) CHRNB2CHRNA4CHRNA3CHRNB4HSD11B1
SCHEMBL853292 0.79 EPHX2 (0.41) CHRNB2CHRNA4CHRNA3CHRNB4HSD11B1
SCHEMBL853291 0.79 EPHX2 (0.41) CHRNB2CHRNA4CHRNA3CHRNB4HSD11B1
SCHEMBL21391822 0.77 CES2 (0.45) CHRNB2CHRNA4CHRNA3HSD11B1HTT
SCHEMBL126540 0.77
Hydrochloric Acid SCHEMBL4598678 0.77 EPHX2 (0.40) CHRNB2CHRNA4CHRNA3CHRNB4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910309-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-04-16 EP disclosed
WO-2007016012-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-02-08 WO disclosed
US-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation WYETH (US) 2007-02-01 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-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation BACE1, BACE2, APP CHRNB2 71/4885CHRNA4 222/4885CHRNA3 155/4885

“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.