SCHEMBL785455

SCHEMBL785455

CN(C(=O)c1ccc2c(c1)CCC2NC(=O)C(C)(C)c1ccccc1Cl)C1CCN(c2ccncc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.37
CCR5 P51681 1/20 0.35
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMA1 P25786 1/20 0.34
PSMA2 P25787 1/20 0.34
PSMA3 P25788 1/20 0.34
PSMA4 P25789 1/20 0.34
PSMB8 P28062 1/20 0.34
PSMB9 P28065 1/20 0.34
PSMA5 P28066 1/20 0.34
PSMB4 P28070 1/20 0.34
PSMB6 P28072 1/20 0.34
PSMB5 P28074 1/20 0.34
PSMB10 P40306 1/20 0.34
PSMB3 P49720 1/20 0.34
PSMB2 P49721 1/20 0.34
PSMA6 P60900 1/20 0.34
PSMA8 Q8TAA3 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
SCHEMBL784130 0.94 F10 (0.37) F10CCR5PSMB11PSMA7PSMB1
SCHEMBL784475 0.94 F10 (0.37) F10CCR5PSMB11PSMA7PSMB1
SCHEMBL784734 0.90 CTSS (0.41) F10CCR5PSMB11PSMA7PSMB1
SCHEMBL785698 0.86 TAS1R3 (0.44) F10TAS1R3TAS1R1BDKRB1
SCHEMBL785404 0.86 TAS1R3 (0.44) F10TAS1R3TAS1R1BDKRB1
SCHEMBL784948 0.86 F10 (0.37) F10CCR5ROCK2DRD2DRD3
SCHEMBL784680 0.86 RORC (0.42) F10TAS1R3TAS1R1ROCK2RIPK1
SCHEMBL785606 0.85 F10 (0.36) F10CCR5ROCK2DRD2DRD3
SCHEMBL784614 0.85 CTSS (0.35) F10PSMB11PSMA7PSMB1PSMA1
SCHEMBL785594 0.85 F10 (0.38) F10CCR5TAS1R3TAS1R1ROCK2

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 6 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 claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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 F10 524/4885CCR5 460/4885PSMB11 2098/4885

“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.