SCHEMBL803684

SCHEMBL803684

CN(C(=O)OCc1ccccc1)C1CCCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
USP30 Q70CQ3 2/20 0.50
GPR119 Q8TDV5 6/20 0.49
STS P08842 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 1/20 0.47
PRMT5 O14744 1/20 0.46

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
SCHEMBL803663 0.96 JAK2 (0.54) SIGMAR1JAK2JAK1USP30GPR119
SCHEMBL883610 0.92 USP30 (0.55) SIGMAR1JAK2JAK1USP30GPR119
SCHEMBL29782573 0.92 USP30 (0.55) SIGMAR1JAK2JAK1USP30GPR119
SCHEMBL28030596 0.89 USP30 (0.62) SIGMAR1JAK2JAK1USP30GPR119
SCHEMBL28030595 0.89 USP30 (0.62) SIGMAR1JAK2JAK1USP30GPR119
SCHEMBL7761338 0.89 USP30 (0.62) SIGMAR1JAK2JAK1USP30GPR119
SCHEMBL29418473 0.89 SIGMAR1 (0.55) SIGMAR1JAK2JAK1USP30GPR119
SCHEMBL1781222 0.87 SMN1; SMN2 (0.57) SIGMAR1JAK2JAK1USP30GPR119
SCHEMBL31187310 0.86 JAK2 (0.47) SIGMAR1JAK2JAK1USP30GPR119
SCHEMBL29593677 0.85 JAK2 (0.51) SIGMAR1JAK2JAK1USP30GPR119

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 SIGMAR1 369/4885JAK2 1298/4885JAK1 1517/4885

“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.