SCHEMBL602123

SCHEMBL602123

O=C(c1nc2cc(C(F)(F)F)ccc2[nH]1)N1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.63
KCNH2 Q12809 5/20 0.49
SCN7A Q01118 4/20 0.49
SCN9A Q15858 4/20 0.49
RBP4 P02753 1/20 0.47
PARP1 P09874 1/20 0.47
ATR Q13535 1/20 0.46
SCN5A Q14524 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN8A Q9UQD0 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
CACNA1H O95180 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PIK3CA P42336 1/20 0.42
PRKAA2 P54646 1/20 0.42

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
SCHEMBL605298 0.87 HRH4 (0.83) HRH4RBP4HRH3PIK3CAPRKAA2
SCHEMBL602139 0.84 HRH4 (0.60) HRH4PARP1HRH3
SCHEMBL604697 0.81 HRH4 (0.64) HRH4PARP1HRH3
SCHEMBL13175710 0.80 HRH4 (0.56) HRH4RBP4PIK3CAPRKAA2
SCHEMBL17109197 0.79 PRKAA2 (0.55) HRH4PARP1PIK3CAPRKAA2
SCHEMBL5770715 0.79 HRH4 (0.67) HRH4HRH3
SCHEMBL12353691 0.78 DRD3 (0.53) HRH4PARP1ATRHRH3
SCHEMBL6665105 0.78 HRH4 (0.72) HRH4RBP4PARP1HRH3
SCHEMBL2360781 0.77 HRH4 (0.51) HRH4KCNH2SCN10A
SCHEMBL2361454 0.77 PIN1 (0.49) HRH4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US claimed
EP-1545532-A2 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-29 EP claimed
US-20040058934-A1 Heterocyclic compounds JANSSEN PHARMACEUTIC, N.V. (BE) 2004-03-25 US claimed
WO-2004022060-A2 (1H-BENZOIMIDAZOL-2-YL)-(PIPERAZINYL)-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO claimed
US-10195195-B2 Selective histamine H4 receptor antagonists for the treatment of vestibular disorders INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2019-02-05 US disclosed
EP-3378476-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS Sensorion (FR) 2018-09-26 EP disclosed
US-9688989-B2 H4 receptor inhibitors for treating tinnitus SENSORION (FR) 2017-06-27 US disclosed
US-20170056397-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-03-02 US disclosed
EP-3130376-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-02-15 EP disclosed
US-9526725-B2 Selective histamine H4 receptor antagonists for the treatment of vestibular disorders INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-12-27 US disclosed
EP-2382013-B1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2016-07-13 EP disclosed
US-20150176010-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS SENSORION (FR) 2015-06-25 US disclosed
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed
US-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus DUNFORD PAUL J 2009-03-12 US disclosed
EP-2010177-A2 COMBINATION HISTAMINE H1R AND H4R ANTAGONIST THERAPY FOR TREATING PRURITUS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-07 EP disclosed
WO-2007120690-A2 COMBINATION HISTAMINE H1R AND H4R ANTAGONIST THERAPY FOR TREATING PRURITUS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 WO disclosed
EP-1545532-A2 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-29 EP disclosed
US-20040058934-A1 Heterocyclic compounds JANSSEN PHARMACEUTIC, N.V. (BE) 2004-03-25 US disclosed
WO-2004022060-A2 (1H-BENZOIMIDAZOL-2-YL)-(PIPERAZINYL)-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 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 (2 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-20040058934-A1 Heterocyclic compounds HRH4, HRH2, HRH1 HRH4 1/4885KCNH2 1725/4885SCN7A 3591/4885
US-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus HRH4, HRH2, HRH3 HRH4 1/4885KCNH2 334/4885SCN7A 2036/4885

“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.