SCHEMBL847679

SCHEMBL847679

CN1CCN(c2cnnc(NCCc3ccccc3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.60
ACHE P22303 1/20 0.56
HRH1 P35367 2/20 0.56
HTR6 P50406 5/20 0.54
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
SLC6A2 P23975 1/20 0.51
HRH2 P25021 1/20 0.51
HTR1D P28221 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR7 P34969 1/20 0.51
HTR2B P41595 1/20 0.51
HTR5A P47898 1/20 0.51
SLC6A3 Q01959 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
HTR3A P46098 1/20 0.47
ESR2 Q92731 3/20 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
SCHEMBL848992 0.88 HRH4 (0.65) HRH4ACHEHRH1HTR6HRH2
SCHEMBL846916 0.85 HTR6 (0.51) HRH4ACHEHRH1HTR6SIGMAR1
SCHEMBL847216 0.81 HRH4 (0.67) HRH4ACHEHRH1HTR6ADRA2B
SCHEMBL848044 0.80 HRH4 (0.50) HRH4ACHEHRH1
SCHEMBL847731 0.80 HRH4 (0.70) HRH4ACHE
Hydrochloric Acid SCHEMBL1588126 0.79 HRH4 (0.69) HRH4ACHE
Hydrochloric Acid SCHEMBL1588127 0.79 HRH4 (0.69) HRH4ACHE
SCHEMBL11916249 0.79 HRH4 (0.72) HRH4HTR3A
SCHEMBL1588700 0.79 HRH4 (0.64) HRH4
SCHEMBL28125300 0.77 HRH4 (0.51) HRH4HRH1HTR6ADRA2BADRA2C

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841287-B2 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-23 US claimed
JP-2011524363-A 2011-09-01 JP claimed
CN-102118969-A Histamine H4Diaminopyridine, diaminopyrimidine, and diaminopyridazine modulators of receptors JANSSEN PHARMACEUTICA NV 2011-07-06 CN claimed
EP-2315521-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H 4 RECEPTOR Janssen Pharmaceutica NV (BE) 2011-05-04 EP claimed
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-04-21 US claimed
WO-2009152325-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 WO claimed
US-20170298022-A1 Diamino-Pyridine, Pyrimidine, and Pyridazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 US disclosed
US-20170298022-A1 Diamino-Pyridine, Pyrimidine, and Pyridazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 US disclosed
US-9732087-B2 Diamino-pyridine, pyrimidine, and pyridazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-15 US disclosed
US-9732087-B2 Diamino-pyridine, pyrimidine, and pyridazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-15 US disclosed
US-9732087-B2 Diamino-pyridine, pyrimidine, and pyridazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-15 US disclosed
US-20140357614-A1 Diamino-Pyridine, Pyrimidine, and Pyrazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2014-12-04 US disclosed
US-20140357614-A1 Diamino-Pyridine, Pyrimidine, and Pyrazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2014-12-04 US disclosed
EP-2315521-B1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H 4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP disclosed
CN-102118969-A Histamine H4Diaminopyridine, diaminopyrimidine, and diaminopyridazine modulators of receptors JANSSEN PHARMACEUTICA NV 2011-07-06 CN disclosed
EP-2315521-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H 4 RECEPTOR Janssen Pharmaceutica NV (BE) 2011-05-04 EP disclosed
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
WO-2009152325-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 WO 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 (3 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-20170298022-A1 Diamino-Pyridine, Pyrimidine, and Pyridazine Modulators of the Histamine H4 Receptor HRH4, HRH3, HRH1 HRH4 1/4885ACHE 1337/4885HRH1 3/4885
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor HRH4, HRH3, HRH2 HRH4 1/4885ACHE 1417/4885HRH1 4/4885
US-20140357614-A1 Diamino-Pyridine, Pyrimidine, and Pyrazine Modulators of the Histamine H4 Receptor HRH4, HRH3, HRH2 HRH4 1/4885ACHE 1417/4885HRH1 4/4885

“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.