SCHEMBL785100

SCHEMBL785100

CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)cc1)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.42
CTSS P25774 2/20 0.42
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
NPY5R Q15761 1/20 0.41
WDR5 P61964 3/20 0.40
F10 P00742 2/20 0.39
MCHR1 Q99705 2/20 0.38
HTR2C P28335 1/20 0.38
ROCK2 O75116 1/20 0.38
PDE10A Q9Y233 1/20 0.37
CCR5 P51681 1/20 0.37
ITK Q08881 1/20 0.37

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
SCHEMBL785446 0.92 CTSS (0.52) KCNH2CTSSHTR1ADRD2HTR2A
SCHEMBL784904 0.90 F10 (0.40) KCNH2CTSSHTR1ADRD2HTR2A
SCHEMBL784472 0.90 CTSS (0.41) KCNH2CTSSHTR1ADRD2HTR2A
SCHEMBL784342 0.90 CTSS (0.41) KCNH2CTSSHTR1ADRD2HTR2A
SCHEMBL785322 0.88 WDR5 (0.42) KCNH2CTSSHTR1ADRD2HTR2A
SCHEMBL786234 0.88 CCR5 (0.40) CTSSDRD2NPY5RWDR5F10
SCHEMBL785875 0.87 MCHR1 (0.39) KCNH2CTSSHTR1ADRD2HTR2A
SCHEMBL785133 0.87 F10 (0.42) KCNH2NPY5RF10MCHR1HTR2C
SCHEMBL785219 0.86 TAS1R3 (0.43) KCNH2CTSSHTR1ADRD2HTR2A
SCHEMBL785091 0.86 ACHE (0.43) DRD2F10MCHR1ROCK2CCR5

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 8 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
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
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 KCNH2 77/4885CTSS 824/4885HTR1A 94/4885

“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.