SCHEMBL13154396

SCHEMBL13154396

CCC1CCN(S(=O)(=O)C(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.44
FAAH O00519 1/20 0.42
HTR1A P08908 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MMP13 P45452 1/20 0.37
GPR119 Q8TDV5 1/20 0.34
USP1 O94782 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
CCL5 P13501 1/20 0.32
CCR5 P51681 1/20 0.32
NPY5R Q15761 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13154401 0.89 EPHX2 (0.39) EPHX2FAAHHTR1AALDH1A1MMP13
SCHEMBL3316552 0.83 EPHX2 (0.38) EPHX2FAAHHTR1AALDH1A1MMP13
SCHEMBL17251906 0.82 NCF1 (0.47) EPHX2FAAHHTR1AALDH1A1GPR119
SCHEMBL2603251 0.79 EPHX2 (0.46) EPHX2FAAHHTR1AMMP13MCOLN3
SCHEMBL13154410 0.79 KAT5 (0.34) EPHX2FAAHKAT8
SCHEMBL10265740 0.79 KDM4E (0.44) ALDH1A1
SCHEMBL11990201 0.78 EPHX2 (0.43) EPHX2FAAHHTR1AALDH1A1MMP13
SCHEMBL15722324 0.78 EPHX2 (0.43) EPHX2FAAHHTR1AALDH1A1MMP13
SCHEMBL13154398 0.78 KAT8 (0.40) EPHX2FAAHKAT8SMN1; SMN2
SCHEMBL17404859 0.78 FAAH (0.44) EPHX2FAAHHTR1AALDH1A1GPR119

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
US-9975854-B2 Benzomorphan analogs and use thereof PURDUE PHARMA L.P. (US) 2018-05-22 US disclosed
US-20170073313-A1 BENZOMORPHAN ANALOGS And Use Thereof PURDUE PHARMA L.P. 2017-03-16 US disclosed
US-8338608-B2 Inhibitors of ion channels ICAGEN INC. (US) 2012-12-25 US disclosed
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US disclosed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US disclosed
US-20070135493-A1 INHIBITORS OF ION CHANNELS ICAGEN (US) 2007-06-14 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 (3 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-20170073313-A1 BENZOMORPHAN ANALOGS And Use Thereof OPRL1, OPRD1, OPRK1 EPHX2 1757/4885FAAH 144/4885HTR1A 67/4885
US-20100234343-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 EPHX2 1928/4885FAAH 230/4885HTR1A 1665/4885
US-20070135493-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 EPHX2 1928/4885FAAH 230/4885HTR1A 1665/4885

“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.