SCHEMBL784130

SCHEMBL784130

CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)C(C)(C)c1ccccc1Cl)CC2)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
CTSS P25774 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
AURKA O14965 1/20 0.34
RIPK1 Q13546 1/20 0.34
BDKRB1 P46663 2/20 0.34
MCHR1 Q99705 1/20 0.34
PSMB11 A5LHX3 1/20 0.33
PSMA7 O14818 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMA1 P25786 1/20 0.33
PSMA2 P25787 1/20 0.33
PSMA3 P25788 1/20 0.33
PSMA4 P25789 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB9 P28065 1/20 0.33

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
SCHEMBL784475 1.00 F10 (0.37) F10CCR5CTSSJAK2JAK1
SCHEMBL784734 0.95 CTSS (0.41) F10CCR5CTSSTAS1R3TAS1R1
SCHEMBL785455 0.94 F10 (0.37) F10CCR5JAK2JAK1TAS1R3
SCHEMBL784614 0.91 CTSS (0.35) F10CTSSJAK2JAK1PSMB11
SCHEMBL784110 0.90 F10 (0.37) F10CTSSJAK2JAK1TAS1R3
SCHEMBL785606 0.88 F10 (0.36) F10CCR5JAK2JAK1BDKRB1
SCHEMBL784948 0.87 F10 (0.37) F10CCR5JAK2JAK1RIPK1
SCHEMBL784767 0.87 MCHR1 (0.38) F10CCR5CTSSJAK2JAK1
SCHEMBL777867 0.86 ALDH1A1 (0.43) F10CTSSTAS1R3TAS1R1BDKRB1
SCHEMBL784081 0.86 ALDH1A1 (0.43) F10CTSSTAS1R3TAS1R1BDKRB1

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 10 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
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
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
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 F10 524/4885CCR5 460/4885CTSS 824/4885

“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.