SCHEMBL784029

SCHEMBL784029

CN(C(=O)c1ccc2c(c1)[C@H](NS(=O)(=O)c1ccccc1)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CCR5 P51681 1/20 0.40
GAA P10253 1/20 0.40
LSS P48449 1/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPY5R Q15761 1/20 0.39
CHEK2 O96017 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
KCNA5 P22460 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36

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
SCHEMBL785133 0.92 F10 (0.42) F10CYP1A2ALDH1A1SMN1; SMN2CCR5
SCHEMBL784219 0.89 F10 (0.41) F10ALDH1A1CCR5LSSJAK2
SCHEMBL785446 0.85 CTSS (0.52) ALDH1A1CCR5JAK2JAK1TSHR
SCHEMBL786234 0.85 CCR5 (0.40) F10CCR5JAK2JAK1NPY5R
SCHEMBL785091 0.85 ACHE (0.43) F10ALDH1A1CCR5JAK2JAK1
SCHEMBL784832 0.84 F10 (0.42) F10CCR5NPY5RMCHR1
SCHEMBL784554 0.83 HTR1A (0.43) F10CCR5JAK2JAK1MCHR1
SCHEMBL785149 0.83 F10 (0.38) F10NPY5R
SCHEMBL785628 0.82 F10 (0.37) F10CCR5JAK2JAK1MCHR1
SCHEMBL784867 0.82 F10 (0.41) F10CCR5LSSNPY5R

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 524/4885CYP1A2 1988/4885ALDH1A1 1267/4885

“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.