SCHEMBL803454

SCHEMBL803454

CN(C(=O)c1ccc2c(c1)C(NC(=O)OC(C)(C)C)CCC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
GPR119 Q8TDV5 3/20 0.38
F10 P00742 4/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PSMB11 A5LHX3 1/20 0.36
PSMA7 O14818 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMA1 P25786 1/20 0.36
PSMA2 P25787 1/20 0.36
PSMA3 P25788 1/20 0.36
PSMA4 P25789 1/20 0.36
PSMB8 P28062 1/20 0.36
PSMB9 P28065 1/20 0.36
PSMA5 P28066 1/20 0.36
PSMB4 P28070 1/20 0.36
PSMB6 P28072 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB10 P40306 1/20 0.36

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
SCHEMBL785217 0.95 GPR119 (0.39) CTSSGPR119F10POLBUSP30
SCHEMBL785218 0.95 GPR119 (0.39) CTSSGPR119F10POLBUSP30
SCHEMBL803699 0.88 GPR119 (0.39) GPR119F10USP30MCHR1JAK2
SCHEMBL785734 0.88 CTSS (0.44) CTSSF10POLBMAPTSMN1; SMN2
SCHEMBL785579 0.87 TAOK3 (0.41) CTSSF10POLBMAPTSMN1; SMN2
SCHEMBL784957 0.86 CTSS (0.43) CTSSF10POLBMAPTSMN1; SMN2
SCHEMBL785080 0.85 TAOK3 (0.41) CTSSF10POLBMAPTSMN1; SMN2
SCHEMBL803654 0.85 GPR119 (0.38) GPR119F10USP30JAK2JAK1
SCHEMBL803496 0.85 GPR119 (0.37) CTSSGPR119F10USP30MCHR1
SCHEMBL803662 0.85 TLR9 (0.39) CTSSGPR119F10USP30JAK2

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 CTSS 824/4885GPR119 698/4885F10 524/4885

“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.