SCHEMBL516571

SCHEMBL516571

NC(=O)C1(C(N)c2ccsc2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
DAO P14920 1/20 0.31
DPP4 P27487 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
SCHEMBL516759 0.79 SLC6A2 (0.44) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL516716 0.77 LMNA (0.37) ALOX5DPP4
SCHEMBL515992 0.74 HSD11B1 (0.36)
SCHEMBL515707 0.72 ALOX5 (0.42) ALOX5SLC1A3SLC1A2SLC1A1CES2
SCHEMBL516756 0.71 SLC6A3 (0.39)
SCHEMBL516116 0.70 PARP1 (0.40)
SCHEMBL8255743 0.69 ALOX5 (0.51) ALOX5SLC1A3SLC1A2SLC1A1CES2
SCHEMBL3976361 0.69 ALOX5 (0.51) ALOX5SLC1A3SLC1A2SLC1A1CES2
SCHEMBL4603992 0.69 ALOX5 (0.51) ALOX5SLC1A3SLC1A2SLC1A1CES2
SCHEMBL516555 0.67 L3MBTL1 (0.53) CES2CES1

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
US-8455550-B2 Derivatives of aminocyclobutane or aminocyclobutene, their method of preparation and their use as medical products PIERRE FABRE MEDICAMENT (FR) 2013-06-04 US disclosed
EP-2414323-B1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PF MEDICAMENT (FR) 2013-03-13 EP disclosed
EP-2414323-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS Pierre Fabre Médicament (FR) 2012-02-08 EP disclosed
US-20120029013-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PIERRE FABRE MEDICAMENT (FR) 2012-02-02 US disclosed
WO-2010112597-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PIERRE FABRE MEDICAMENT (FR) 2010-10-07 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-20120029013-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS CYP11B2, BCAT1, CYP11B1 ALOX5 585/4885SLC1A3 538/4885SLC1A2 478/4885

“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.