SCHEMBL606491

SCHEMBL606491

Nc1nc(O[C@H]2CCNC2)c2c(n1)-c1ccccc1CCC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.53
BCHE P06276 2/20 0.43
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
PRKCI P41743 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
KDR P35968 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL14084245 1.00 HRH4 (0.53) HRH4BCHEADORA2AADORA1HRH3
SCHEMBL602388 0.93 HRH4 (0.57) HRH4BCHEADORA2AADORA1HRH3
SCHEMBL14084207 0.83 HRH4 (0.55) HRH4BCHEADORA2AADORA1HRH3
SCHEMBL14084208 0.83 HRH4 (0.55) HRH4BCHEADORA2AADORA1HRH3
SCHEMBL14084209 0.82 HRH4 (0.54) HRH4BCHEADORA2AADORA1HRH3
SCHEMBL14084210 0.82 HRH4 (0.54) HRH4BCHEADORA2AADORA1HRH3
SCHEMBL605605 0.81 HRH4 (0.53) HRH4BCHEADORA2AADORA1HRH3
SCHEMBL14084246 0.81 HRH4 (0.46) HRH4BCHEADORA2AADORA1HRH3
SCHEMBL14084247 0.81 HRH4 (0.46) HRH4BCHEADORA2AADORA1HRH3
SCHEMBL14084206 0.80 HRH4 (0.53) HRH4BCHEADORA2AADORA1HRH3

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
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
WO-2008060766-A2 HISTAMINE H4 RECEPTOR LIGANDS FOR USE IN PAIN TREATMENT 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 3013/4885BCHE 1235/4885ADORA2A 1517/4885
US-20080194538-A1 Method for Pain Treatment HRH4, HRH3, HRH2 HRH4 1/4885BCHE 272/4885ADORA2A 150/4885

“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.