SCHEMBL13587115

SCHEMBL13587115

CN1CCN(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 1/20 0.39
CTSK P43235 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
GPR119 Q8TDV5 4/20 0.36
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL14314342 0.94 EPHX2 (0.42) USP2SMN1; SMN2EPHX2CTSKMEN1
SCHEMBL31180103 0.87 HPGD (0.47) USP2SMN1; SMN2EPHX2CTSKMEN1
SCHEMBL14314348 0.86 USP2 (0.44) USP2SMN1; SMN2EPHX2CTSKMEN1
SCHEMBL2398369 0.85 USP2 (0.59) USP2SMN1; SMN2EPHX2CTSKALDH1A1
SCHEMBL14306563 0.84 HPGD (0.43) USP2SMN1; SMN2EPHX2CTSKMEN1
SCHEMBL3665241 0.84 HPGD (0.43) USP2SMN1; SMN2EPHX2CTSKMEN1
SCHEMBL648469 0.84 HPGD (0.41) USP2SMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL14314343 0.83 HRH3 (0.40) USP2SMN1; SMN2EPHX2CTSKMEN1
SCHEMBL14314344 0.82 USP2 (0.41) USP2SMN1; SMN2EPHX2CTSKMEN1
SCHEMBL994040 0.82 USP2 (0.55) USP2SMN1; SMN2EPHX2CTSKMEN1

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-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
WO-2009109364-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-11 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-20090298812-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 USP2 3796/4885SMN1; SMN2 1173/4885EPHX2 1420/4885

“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.