SCHEMBL604606

SCHEMBL604606

Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccccc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 1.00
HRH3 Q9Y5N1 3/20 0.65
HRH1 P35367 2/20 0.65
HRH2 P25021 1/20 0.65
BCHE P06276 1/20 0.47
ADRB1 P08588 1/20 0.45
TACR2 P21452 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
CCR1 P32246 1/20 0.45
AVPR1A P37288 1/20 0.45
HTR2B P41595 1/20 0.45
HTR3A P46098 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ADORA2A P29274 1/20 0.42
ADORA1 P30542 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
SCHEMBL606888 0.99 HRH4 (0.98) HRH4HRH3HRH1HRH2BCHE
SCHEMBL603641 0.98 HRH4 (0.95) HRH4HRH3HRH1HRH2BCHE
SCHEMBL604895 0.96 HRH4 (0.93) HRH4HRH3HRH1HRH2BCHE
SCHEMBL605866 0.96 HRH4 (0.93) HRH4HRH3HRH1HRH2BCHE
SCHEMBL603344 0.94 HRH4 (0.89) HRH4HRH3HRH1HRH2BCHE
SCHEMBL14084087 0.93 HRH4 (0.87) HRH4HRH3HRH1HRH2BCHE
SCHEMBL605567 0.93 HRH4 (1.00) HRH4HRH3HRH1HRH2BCHE
SCHEMBL14084084 0.92 HRH4 (0.85) HRH4HRH3HRH1HRH2BCHE
SCHEMBL14084091 0.92 HRH4 (0.85) HRH4HRH3HRH1HRH2BCHE
SCHEMBL14084090 0.91 HRH4 (0.83) HRH4HRH3HRH1HRH2BCHE

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-7985745-B2 Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor ABBOTT LABORATORIES (US) 2011-07-26 US claimed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 US claimed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 US 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-20160000777-A1 METHODS OF USING HISTAMINE RECEPTOR AGONISTS AND ANTAGONISTS UNIVERSITY OF ROCHESTER (US) 2016-01-07 US disclosed
US-7985745-B2 Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor ABBOTT LABORATORIES (US) 2011-07-26 US disclosed
US-7985745-B2 Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor ABBOTT LABORATORIES (US) 2011-07-26 US disclosed
WO-2010072829-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-07-01 WO disclosed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 US disclosed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 US disclosed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 US disclosed
WO-2008060766-A2 HISTAMINE H4 RECEPTOR LIGANDS FOR USE IN PAIN TREATMENT ABBOTT LABORATORIES (US) 2008-05-22 WO disclosed
WO-2008060767-A2 MACROCYCLIC BENZOFUSED PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2008-05-22 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-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS HRH4 3013/4885HRH3 3492/4885HRH1 2660/4885
US-20080194538-A1 Method for Pain Treatment HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885HRH1 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.