SCHEMBL784767

SCHEMBL784767

CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)C(C)(C)C)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
F10 P00742 3/20 0.38
POLB P06746 1/20 0.37
CCR5 P51681 1/20 0.36
CTSS P25774 1/20 0.36
ROCK2 O75116 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
SLC2A1 P11166 1/20 0.35
DRD2 P14416 1/20 0.35
WDR5 P61964 1/20 0.34
PDK2 Q15119 2/20 0.34
NPY5R Q15761 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 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
SCHEMBL786234 0.90 CCR5 (0.40) MCHR1F10POLBCCR5CTSS
SCHEMBL785218 0.89 GPR119 (0.39) MCHR1F10POLBCCR5CTSS
SCHEMBL785458 0.89 MCHR1 (0.39) MCHR1F10POLBCCR5CTSS
SCHEMBL785217 0.89 GPR119 (0.39) MCHR1F10POLBCCR5CTSS
SCHEMBL785875 0.88 MCHR1 (0.39) MCHR1F10POLBCCR5CTSS
SCHEMBL785091 0.88 ACHE (0.43) MCHR1F10POLBCCR5ROCK2
SCHEMBL784475 0.87 F10 (0.37) MCHR1F10CCR5CTSSJAK2
SCHEMBL784130 0.87 F10 (0.37) MCHR1F10CCR5CTSSJAK2
SCHEMBL784410 0.87 POLB (0.41) MCHR1F10POLBCCR5CTSS
SCHEMBL785446 0.87 CTSS (0.52) MCHR1POLBCCR5CTSSROCK2

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 MCHR1 363/4885F10 524/4885POLB 3355/4885

“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.