SCHEMBL803654

SCHEMBL803654

CN(C(=O)c1ccc2c(c1)C(NC(=O)OC(C)(C)C)CC2(C)C)C1CCN(c2ccncc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.38
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
F10 P00742 5/20 0.37
KDM4D Q6B0I6 3/20 0.36
USP30 Q70CQ3 1/20 0.36
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CCR5 P51681 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
SCHEMBL785791 0.88 ALDH1A1 (0.41) ALDH1A1ALOX15F10JAK2JAK1
SCHEMBL784932 0.87 F10 (0.37) ALDH1A1ALOX15F10JAK2JAK1
SCHEMBL785218 0.87 GPR119 (0.39) GPR119F10KDM4DUSP30JAK2
SCHEMBL785217 0.87 GPR119 (0.39) GPR119F10KDM4DUSP30JAK2
SCHEMBL784500 0.86 ALDH1A1 (0.39) ALDH1A1ALOX15F10JAK2JAK1
SCHEMBL803454 0.85 CTSS (0.41) GPR119ALDH1A1F10USP30JAK2
SCHEMBL785867 0.85 CYP3A4 (0.38) ALDH1A1ALOX15F10JAK2JAK1
SCHEMBL784362 0.84 ALDH1A1 (0.38) ALDH1A1ALOX15F10USP30JAK2
SCHEMBL784953 0.84 POLB (0.39) ALDH1A1ALOX15F10CCR5
SCHEMBL784256 0.84 CCR5 (0.38) ALDH1A1ALOX15F10JAK2JAK1

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 698/4885ALDH1A1 1267/4885ALOX15 2120/4885

“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.