SCHEMBL785173

SCHEMBL785173

CNC1CCN(c2ccnc(N(C)C)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.54
HRH3 Q9Y5N1 3/20 0.49
ACACB O00763 1/20 0.44
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
OGA O60502 1/20 0.41

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
SCHEMBL16854386 0.84 HRH4 (0.56) HRH4HRH3
SCHEMBL785843 0.82 HRH4 (0.57) HRH4HRH3ROCK2ROCK1
SCHEMBL16622459 0.81 HRH4 (0.64) HRH4HRH3
SCHEMBL1825609 0.80 HRH4 (0.62) HRH4HRH3ACACB
SCHEMBL10275112 0.79 HRH4 (0.54) HRH4HRH3ACACBROCK2ROCK1
SCHEMBL23173718 0.78 HRH4 (0.54) HRH4HRH3
SCHEMBL10275131 0.78 HRH4 (0.54) HRH4HRH3ROCK2ROCK1
SCHEMBL8475763 0.76 HRH4 (0.63) HRH4HRH3
SCHEMBL10970453 0.75 HRH3 (0.61) HRH4HRH3
SCHEMBL28024738 0.75 HSD17B10 (0.51) OGA

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
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP 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-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
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 HRH4 5/4885HRH3 9/4885ACACB 3318/4885

“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.