SCHEMBL602168

SCHEMBL602168

Cc1cccc2[nH]c(C(=O)N3CCN(C)CC3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 1.00
HRH3 Q9Y5N1 1/20 0.54
PDE10A Q9Y233 1/20 0.53
PARP1 P09874 4/20 0.53
PARP2 Q9UGN5 1/20 0.51
ALOX15 P16050 1/20 0.48

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
SCHEMBL606377 0.87 HRH4 (0.77) HRH4HRH3PDE10APARP1PARP2
SCHEMBL604429 0.86 HRH4 (0.76) HRH4PDE10APARP1PARP2
SCHEMBL602140 0.86 HRH4 (0.75) HRH4HRH3PARP1PARP2
SCHEMBL604563 0.86 HRH4 (0.75) HRH4HRH3PDE10APARP1PARP2
SCHEMBL603956 0.84 HRH4 (0.77) HRH4HRH3PARP1ALOX15
SCHEMBL8470893 0.84 HRH4 (0.72) HRH4HRH3PARP1PARP2ALOX15
SCHEMBL12271578 0.83 PARP1 (0.75) HRH4PDE10APARP1PARP2
SCHEMBL603318 0.82 HRH4 (0.69) HRH4HRH3PARP1PARP2
SCHEMBL605246 0.81 HRH4 (0.67) HRH4HRH3PARP1PARP2ALOX15
SCHEMBL604426 0.80 HRH4 (1.00) HRH4HRH3PDE10AALOX15

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 28 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-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus DUNFORD PAUL J 2009-03-12 US disclosed
EP-1545596-A4 USE OF HISTAMINE H4 RECEPTOR MODULATORS FOR THE TREATMENT OF ALLERGY AND ASTHMA JANSSEN PHARMACEUTICA NV (BE) 2005-12-28 EP disclosed
EP-1545532-A2 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-29 EP disclosed
EP-1545596-A2 USE OF HISTAMINE H4 RECEPTOR MODULATORS FOR THE TREATMENT OF ALLERGY AND ASTHMA 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
WO-2004021999-A2 USE OF HISTAMINE H4 RECEPTOR MODULATORS FOR THE TREATMENT OF ALLERGY AND ASTHMA 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 1/4885HRH3 4/4885PDE10A 2740/4885
US-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus HRH4, HRH2, HRH3 HRH4 1/4885HRH3 3/4885PDE10A 4745/4885

“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.