SCHEMBL785043

SCHEMBL785043

CN(C)c1nccc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](N(C)C(=O)CCC3CCCC3)CC4)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
CNR2 P34972 2/20 0.36
TMEM97 Q5BJF2 2/20 0.34
DRD2 P14416 1/20 0.34
MCHR1 Q99705 3/20 0.33
F10 P00742 2/20 0.33
ACACB O00763 2/20 0.32
TAF1 P21675 1/20 0.32
CECR2 Q9BXF3 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
ITK Q08881 3/20 0.32
F2 P00734 1/20 0.32
PLAT P00750 1/20 0.32
KLKB1 P03952 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL784259 0.86 POLB (0.37) POLBDRD2MCHR1ACACB
SCHEMBL785400 0.86 POLB (0.40) POLBCNR2TMEM97F10F2
SCHEMBL783986 0.85 F10 (0.42) POLBCNR2TMEM97DRD2MCHR1
SCHEMBL785205 0.84 F10 (0.43) POLBCNR2TMEM97DRD2F10
SCHEMBL784916 0.81 ACACB (0.35) POLBDRD2ACACB
SCHEMBL785227 0.81 MEN1 (0.38) POLBCNR2TMEM97MCHR1ITK
SCHEMBL785318 0.79 POLB (0.40) POLBDRD2ACACB
SCHEMBL785126 0.78 POLB (0.37) POLBACACB
SCHEMBL784801 0.78 POLB (0.36) POLBCNR2DRD2TAF1CECR2
SCHEMBL784264 0.78 POLB (0.36) POLBCNR2DRD2ACACB

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 POLB 3355/4885CNR2 38/4885TMEM97 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.