SCHEMBL515707

SCHEMBL515707

NC(=O)C1(C(N)c2cccs2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
KEAP1 Q14145 1/20 0.38
CTSC P53634 2/20 0.37
GAA P10253 3/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRL1 P41146 1/20 0.35
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
HSD11B1 P28845 1/20 0.33
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL516146 0.79 SLC6A2 (0.44) ALOX5HSD11B1
SCHEMBL3435591 0.76 ALOX5 (0.43) ALOX5CES2CES1KEAP1CTSC
SCHEMBL516716 0.73 LMNA (0.37) ALOX5
SCHEMBL6828713 0.73 CES2 (0.42) ALOX5CES2CES1KEAP1CTSC
SCHEMBL11089051 0.73 SLC6A3 (0.43) SLC6A3OPRM1OPRK1OPRD1OPRL1
SCHEMBL516571 0.72 ALOX5 (0.42) ALOX5CES2CES1SLC1A3SLC1A2
SCHEMBL3323311 0.72 ALOX5 (0.39) ALOX5CES2CES1KEAP1GAA
SCHEMBL10560589 0.70 SLC6A3 (0.49) SLC6A3OPRK1HSD11B1MAPTALOX15
SCHEMBL10560594 0.70 SLC6A3 (0.40) SLC6A3OPRM1OPRK1OPRD1OPRL1
SCHEMBL10562038 0.70 SLC6A3 (0.40) SLC6A3OPRM1OPRK1OPRD1OPRL1

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 585/4885CES2 2789/4885CES1 899/4885

“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.