SCHEMBL803869

SCHEMBL803869

CN(C(=O)OCc1ccccc1)C1CCCN(c2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
CCR5 P51681 1/20 0.46
F10 P00742 3/20 0.46
TMEM97 Q5BJF2 3/20 0.45
HTR1A P08908 1/20 0.45
CHRM5 P08912 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
TSPO P30536 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL785836 0.92 SIGMAR1 (0.51) SIGMAR1CCR5F10TMEM97HTR1A
SCHEMBL803504 0.84 SIGMAR1 (0.49) SIGMAR1CCR5TMEM97HTR1ACHRM5
SCHEMBL883802 0.82 SIGMAR1 (0.47) SIGMAR1CCR5F10TMEM97HTR1A
SCHEMBL785299 0.82 SIGMAR1 (0.47) SIGMAR1CCR5F10TMEM97HTR1A
SCHEMBL784597 0.82 ACACB (0.49) SIGMAR1CCR5F10TMEM97HTR1A
SCHEMBL785960 0.81 TMEM97 (0.46) SIGMAR1CCR5F10TMEM97HTR1A
SCHEMBL784992 0.80 SIGMAR1 (0.47) SIGMAR1CCR5F10TMEM97HTR1A
SCHEMBL8029227 0.80 SIGMAR1 (0.64) SIGMAR1CCR5
SCHEMBL803685 0.80 SIGMAR1 (0.45) SIGMAR1CCR5F10TMEM97HTR1A
SCHEMBL16622465 0.80 SIGMAR1 (0.47) SIGMAR1CCR5TMEM97HTR1ACHRM5

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 5 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 disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO 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 SIGMAR1 369/4885CCR5 460/4885F10 524/4885

“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.