SCHEMBL604374

SCHEMBL604374

Nc1nc2c(c(N3C[C@@H]4CCCN[C@H]4C3)n1)CCC1CCCCC21

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 0.64
HRH3 Q9Y5N1 2/20 0.38
HTR3A P46098 2/20 0.34
ADRB1 P08588 1/20 0.34
TACR2 P21452 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CCR1 P32246 1/20 0.34
HRH1 P35367 1/20 0.34
AVPR1A P37288 1/20 0.34
HTR2B P41595 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ROCK1 Q13464 1/20 0.32

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
SCHEMBL601999 1.00 HRH4 (0.64) HRH4HRH3HTR3AADRB1TACR2
SCHEMBL604373 1.00 HRH4 (0.64) HRH4HRH3HTR3AADRB1TACR2
SCHEMBL601996 1.00 HRH4 (0.64) HRH4HRH3HTR3AADRB1TACR2
SCHEMBL601998 1.00 HRH4 (0.64) HRH4HRH3HTR3AADRB1TACR2
SCHEMBL601997 1.00 HRH4 (0.64) HRH4HRH3HTR3AADRB1TACR2
SCHEMBL2569484 0.80 HRH4 (0.62) HRH4HRH3HTR3AROCK1
SCHEMBL603574 0.80 HRH4 (0.62) HRH4HRH3HTR3AROCK1
SCHEMBL604363 0.80 HRH4 (0.57) HRH4HRH3HTR3AADRB1TACR2
SCHEMBL604361 0.80 HRH4 (0.57) HRH4HRH3HTR3AADRB1TACR2
SCHEMBL604782 0.80 HRH4 (0.64) HRH4HRH3HTR3AROCK1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009134726-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-11-05 WO claimed
US-20090270364-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-29 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
EP-2858647-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS Sensorion (FR) 2015-04-15 EP disclosed
WO-2013182711-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS SENSORION (FR) 2013-12-12 WO disclosed
US-8278311-B2 Substituted pyrimidine derivatives ABBOTT LABORATORIES (US) 2012-10-02 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
EP-2382013-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-11-02 EP 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
WO-2009134726-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-11-05 WO disclosed
US-20090270364-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-29 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 (1 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-20090270364-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS HRH4 1147/4885HRH3 713/4885HTR3A 2105/4885

“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.