SCHEMBL785133

SCHEMBL785133

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
NPY5R Q15761 2/20 0.40
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNA5 P22460 1/20 0.36
MCHR1 Q99705 3/20 0.36
HTR2C P28335 1/20 0.36
KCNH2 Q12809 1/20 0.36
RORC P51449 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL784029 0.92 F10 (0.41) F10ALDH1A1SMN1; SMN2GAANPY5R
SCHEMBL785100 0.87 KCNH2 (0.42) F10NPY5RMCHR1HTR2CKCNH2
SCHEMBL27902601 0.85 NPY5R (0.36) F10NPY5RMCHR1HTR2CKCNH2
SCHEMBL27902600 0.85 F10 (0.37) F10NPY5RMCHR1HTR2CKCNH2
SCHEMBL784219 0.84 F10 (0.41) F10ALDH1A1NPY5RHTR2CCCR5
SCHEMBL785091 0.84 ACHE (0.43) F10ALDH1A1MCHR1CCR5
SCHEMBL784832 0.83 F10 (0.42) F10NPY5RMCHR1CCR5
SCHEMBL786234 0.82 CCR5 (0.40) F10NPY5RMCHR1CCR5
SCHEMBL785149 0.82 F10 (0.38) F10NPY5RRORC
SCHEMBL784904 0.81 F10 (0.40) F10NPY5RKCNH2

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 F10 524/4885ALDH1A1 1267/4885SMN1; SMN2 2971/4885

“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.