SCHEMBL606395

SCHEMBL606395

Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCCCc1ccccc1-2

nearest known ligand 0.94

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.94
HRH3 Q9Y5N1 4/20 0.57
HRH2 P25021 1/20 0.57
HRH1 P35367 1/20 0.57
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
BCHE P06276 1/20 0.41

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
SCHEMBL2165410 1.00 HRH4 (0.94) HRH4HRH3HRH2HRH1CCNT1
SCHEMBL614724 0.99 HRH4 (0.96) HRH4HRH3HRH2HRH1CCNT1
SCHEMBL2166477 0.99 HRH4 (0.96) HRH4HRH3HRH2HRH1CCNT1
SCHEMBL29409628 0.97 HRH4 (1.00) HRH4HRH3HRH2HRH1CCNT1
SCHEMBL602812 0.97 HRH4 (1.00) HRH4HRH3HRH2HRH1CCNT1
SCHEMBL19559282 0.97 HRH4 (1.00) HRH4HRH3HRH2HRH1CCNT1
SCHEMBL14084123 0.91 HRH4 (0.89) HRH4HRH3HRH2HRH1CCNT1
SCHEMBL606505 0.90 HRH4 (0.87) HRH4HRH3HRH2HRH1CCNT1
SCHEMBL604768 0.90 HRH4 (0.79) HRH4HRH3HRH2HRH1BCHE
SCHEMBL606761 0.85 HRH4 (0.94) HRH4HRH3HRH2HRH1

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 16 patents. 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-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 US claimed
WO-2008060767-A2 MACROCYCLIC BENZOFUSED PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2008-05-22 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-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US disclosed
US-20120039913-A1 Selective Histamine H4 Receptor Antagonists for the Treatment of Vestibular Disorders INSERM (institut National de la Sante de la Recher Medicale) (FR) 2012-02-16 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-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

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 3492/4885HRH2 2549/4885
US-20080194538-A1 Method for Pain Treatment HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885HRH2 3/4885

“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.