SCHEMBL784597

SCHEMBL784597

CN(C(=O)OCc1ccccc1)C1CCN(c2ccnc(OCc3ccccc3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.49
SIGMAR1 Q99720 3/20 0.47
TMEM97 Q5BJF2 3/20 0.46
HTR1A P08908 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
TSPO P30536 1/20 0.46
HTR7 P34969 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL785960 0.93 TMEM97 (0.46) ACACBSIGMAR1TMEM97HTR1ACHRM5
SCHEMBL883802 0.89 SIGMAR1 (0.47) SIGMAR1TMEM97HTR1ACHRM5ADRA2A
SCHEMBL785299 0.88 SIGMAR1 (0.47) SIGMAR1TMEM97HTR1ACHRM5ADRA2A
SCHEMBL803685 0.86 SIGMAR1 (0.45) SIGMAR1TMEM97HTR1ACHRM5ADRA2A
SCHEMBL803504 0.82 SIGMAR1 (0.49) SIGMAR1TMEM97HTR1ACHRM5ADRA2A
SCHEMBL803869 0.82 SIGMAR1 (0.51) SIGMAR1TMEM97HTR1ACHRM5ADRA2A
SCHEMBL785971 0.79 SIGMAR1 (0.47) SIGMAR1TMEM97HTR1ACHRM5ADRA2A
SCHEMBL803772 0.79 SIGMAR1 (0.47) ACACBSIGMAR1TMEM97HTR1ACHRM5
SCHEMBL803806 0.77 SIGMAR1 (0.46) ACACBSIGMAR1TMEM97HTR1ACHRM5
SCHEMBL803974 0.77 SIGMAR1 (0.45) SIGMAR1TMEM97HTR1ACHRM5ADRA2A

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 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
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP 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
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 ACACB 3318/4885SIGMAR1 369/4885TMEM97 1341/4885

“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.