SCHEMBL784528

SCHEMBL784528

CNC1CCCN(c2ccncc2)C1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.57
CHKA P35790 1/20 0.52
DOT1L Q8TEK3 1/20 0.48
ROCK2 O75116 4/20 0.47
ROCK1 Q13464 4/20 0.47
CDC42BPB Q9Y5S2 4/20 0.47
CDC42BPA Q5VT25 2/20 0.47

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
Hydrochloric Acid SCHEMBL28805789 0.98 HRH4 (0.56) HRH4CHKADOT1LROCK2ROCK1
SCHEMBL803326 0.90 HRH4 (0.59) HRH4
Hydrochloric Acid SCHEMBL784722 0.89 HRH4 (0.58) HRH4
SCHEMBL786314 0.87 CHKA (0.56) HRH4CHKAROCK2ROCK1CDC42BPB
SCHEMBL4827811 0.83 ROCK2 (0.56) HRH4ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL4821451 0.83 ROCK2 (0.56) HRH4ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL803308 0.83 CHKA (0.47) HRH4CHKAROCK2ROCK1
Hydrochloric Acid SCHEMBL4821394 0.82 ROCK2 (0.55) HRH4ROCK2ROCK1CDC42BPBCDC42BPA
Hydrochloric Acid SCHEMBL785101 0.81 CHKA (0.45) HRH4CHKAROCK2ROCK1
SCHEMBL15720058 0.80 NOTUM (0.49) HRH4DOT1L

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 9 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
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 5/4885CHKA 1330/4885DOT1L 2538/4885

“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.