SCHEMBL803496

SCHEMBL803496

CN(C(=O)c1ccc2c(c1)C(NC(=O)OC(C)(C)C)CC2)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.37
CTSS P25774 1/20 0.35
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
NPY5R Q15761 3/20 0.34
PRMT3 O60678 1/20 0.34
USP30 Q70CQ3 1/20 0.34
MCHR1 Q99705 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
F10 P00742 1/20 0.34
WDR5 P61964 1/20 0.34

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
SCHEMBL785218 0.90 GPR119 (0.39) GPR119CTSSJAK2JAK1USP30
SCHEMBL785217 0.90 GPR119 (0.39) GPR119CTSSJAK2JAK1USP30
SCHEMBL785344 0.88 PSMB11 (0.36) CTSSJAK2JAK1NPY5RPRMT3
SCHEMBL784656 0.88 ABL1 (0.40) CTSSNPY5RPRMT3F10WDR5
SCHEMBL803662 0.86 TLR9 (0.39) GPR119CTSSJAK2JAK1USP30
SCHEMBL785229 0.86 HCRTR1 (0.36) CTSSJAK2JAK1PRMT3MCHR1
SCHEMBL785215 0.86 CTSS (0.41) CTSSPRMT3F10WDR5
SCHEMBL785873 0.85 DRD2 (0.39) CTSSJAK2JAK1NPY5RPRMT3
SCHEMBL785020 0.85 POLB (0.38) CTSSJAK2JAK1PRMT3WDR5
SCHEMBL803454 0.85 CTSS (0.41) GPR119CTSSJAK2JAK1USP30

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 GPR119 698/4885CTSS 824/4885JAK2 1298/4885

“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.