SCHEMBL603454

SCHEMBL603454

CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 1.00
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
KMT2A Q03164 1/20 0.68
HRH3 Q9Y5N1 1/20 0.67
DRD3 P35462 8/20 0.65
DRD2 P14416 7/20 0.65
POLB P06746 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ADRB1 P08588 1/20 0.64
HTR1A P08908 1/20 0.64
ADRA2C P18825 1/20 0.64
HTR2B P41595 1/20 0.64
TMEM97 Q5BJF2 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
HRH1 P35367 1/20 0.63
AKR1C3 P42330 1/20 0.62
HDAC6 Q9UBN7 1/20 0.61

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
SCHEMBL605555 0.87 HRH4 (0.77) HRH4DRD3DRD2ADRB1HTR1A
SCHEMBL602069 0.86 HRH4 (0.76) HRH4DRD3DRD2ADRB1HTR1A
SCHEMBL603388 0.85 HRH4 (0.74) HRH4DRD3DRD2ADRB1HTR1A
SCHEMBL602185 0.85 HRH4 (0.74) HRH4DRD3DRD2ADRB1HTR1A
SCHEMBL6141991 0.85 HRH4 (0.74) HRH4DRD3DRD2ADRB1HTR1A
SCHEMBL604932 0.85 HRH4 (1.00) HRH4HRH3POLBSMN1; SMN2HRH1
SCHEMBL603253 0.84 DRD3 (0.72) HRH4DRD3DRD2ADRB1HTR1A
SCHEMBL604516 0.84 HRH4 (0.72) HRH4DRD3DRD2ADRB1HTR1A
SCHEMBL612331 0.84 AKR1C3 (0.78) HRH4NPC1RAB9AKMT2AHRH3
SCHEMBL14188677 0.84 HRH4 (0.78) HRH4NPC1HRH3DRD3DRD2

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-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-1373204-B1 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
EP-1373204-B1 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-10-26 EP 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
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
CN-1694703-A Use of indolyl derivatives for the manufacture of a medicament for the treatment allergic rhinitis JANSSEN PHARMACEUTICA NV (BE) 2005-11-09 CN disclosed
EP-1551406-A1 USE OF INDOLYL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF ALLERGIC RHINITIS JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-13 EP disclosed
US-20050085487-A1 Heterocyclic compounds CARRUTHERS NICHOLAS I (US) 2005-04-21 US disclosed
US-6803362-B2 ANTIHISTAMINES SUCH AS (5-CHLORO-1H-INDOL-2-YL)-(4-METHYL-PIPERAZIN-1-YL)-METHANONE, USED AS ANTIINFLAMMATORY, ANTIARTHRITIC OR BRONCHODILATOR AGENTS AND/OR IMMUNOLOGY MODULATORS ORTHO-MCNEIL PHARMACEUTICAL INC. 2004-10-12 US disclosed
WO-2004022061-A1 USE OF INDOLYL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT ALLERGIC RHINITIS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO disclosed
EP-1373204-A2 HETEROCYCLIC COMPOUNDS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-01-02 EP disclosed
US-20030207893-A1 Heterocyclic compounds ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-11-06 US disclosed
WO-2002072548-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS HISTAMINE H4 LIGANDS. ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-09-19 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-20050085487-A1 Heterocyclic compounds AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1 HRH4 1501/4885NPC1 383/4885RAB9A 1917/4885
US-20030207893-A1 Heterocyclic compounds AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1 HRH4 1508/4885NPC1 383/4885RAB9A 1924/4885

“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.