SCHEMBL5144766

SCHEMBL5144766

CC(C(=O)C1=C[C][C]C=C1)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
SLC6A2 P23975 7/20 0.44
SLC6A3 Q01959 7/20 0.44
CHRNB4 P30926 6/20 0.44
CHRNA3 P32297 6/20 0.44
CHRNB2 P17787 5/20 0.44
CHRNA4 P43681 5/20 0.44
CHRNA1 P02708 4/20 0.44
CHRNG P07510 4/20 0.44
CHRNB1 P11230 4/20 0.44
CHRND Q07001 4/20 0.44
ALDH1A1 P00352 4/20 0.43
SLC6A4 P31645 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 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
SCHEMBL27748869 0.70 MAOB (0.47) MAOBSLC6A2SLC6A3CHRNB4CHRNA3
SCHEMBL1072701 0.67 SLC6A2 (0.69) MAOBSLC6A2SLC6A3CHRNB4CHRNA3
Bromide SCHEMBL13729160 0.66 SLC6A2 (0.68) MAOBSLC6A2SLC6A3CHRNB4CHRNA3
SCHEMBL6811754 0.66 ALDH1A1 (0.61) MAOBSLC6A2SLC6A3CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL10728832 0.66 SLC6A2 (0.68) MAOBSLC6A2SLC6A3CHRNB4CHRNA3
SCHEMBL11268568 0.66 SLC6A2 (0.70) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL27647452 0.65 MAOB (0.46) MAOBSLC6A2SLC6A3CHRNB4CHRNA3
SCHEMBL28360223 0.65 SLC6A2 (0.67) MAOBSLC6A2SLC6A3CHRNB4CHRNA3
SCHEMBL11037118 0.65 SLC6A2 (0.67) MAOBSLC6A2SLC6A3CHRNB4CHRNA3
SCHEMBL9796926 0.65 SLC6A3 (0.60) MAOBSLC6A2SLC6A3CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191431-A1 2-Amino-5-piperidinylimidazolone compounds and use thereof for beta-secretase modulation WYETH (US) 2007-08-16 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-20070191431-A1 2-Amino-5-piperidinylimidazolone compounds and use thereof for beta-secretase modulation BACE1, BACE2, PSEN1 MAOB 942/4885SLC6A2 4032/4885SLC6A3 4372/4885

“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.