SCHEMBL8038792

SCHEMBL8038792

CC(C)CCC(=O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.49
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
CA1 P00915 2/20 0.38
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP3A4 P08684 1/20 0.37
PDE4D Q08499 1/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
MAOB P27338 1/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR7 P34969 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL20833723 0.86 TRPA1 (0.46) TRPA1CA1ALOX5PTGS1PTGS2
SCHEMBL23891589 0.86 CES2 (0.44) TRPA1CES2CES1CYP3A4RAB9A
SCHEMBL4449793 0.83 TRPA1 (0.50) TRPA1CES2CES1CA1ALOX5
SCHEMBL28398673 0.79 CES2 (0.38) TRPA1CES2CES1CYP3A4RAB9A
SCHEMBL28398674 0.79 CES2 (0.38) TRPA1CES2CES1CYP3A4RAB9A
SCHEMBL25183753 0.76 HTT (0.58) TRPA1PDE4DRAB9AALDH1A1MAPT
SCHEMBL17032601 0.76 NPC1 (0.62) TRPA1CES2CES1RAB9AALDH1A1
SCHEMBL4447971 0.75 CES2 (0.50) TRPA1CES2CYP3A4ALDH1A1MEN1
SCHEMBL20703168 0.75 CES2 (0.52) CES2CES1RAB9AALDH1A1HPGD
SCHEMBL23782601 0.74 TRPA1 (0.49) TRPA1CA1ALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212277-B1 AMINE LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2016-08-31 EP disclosed
US-8247610-B2 Amine linked modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-21 US disclosed
US-8247610-B2 Amine linked modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-21 US disclosed
US-20090105300-A1 AMINE LINKED MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-20090105300-A1 AMINE LINKED MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
WO-2009052350-A1 AMINE LINKED MODULATORS OF Y-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 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-20090105300-A1 AMINE LINKED MODULATORS OF y-SECRETASE BACE1, BACE2, APP TRPA1 4797/4885CES2 1239/4885CES1 599/4885

“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.