SCHEMBL602129

SCHEMBL602129

CN1CCN(c2nc3ccc(C(F)(F)F)cc3[nH]c2=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.63
HTR3A P46098 2/20 0.63
DGAT1 O75907 2/20 0.60
SOAT1 P35610 2/20 0.60
KCNH2 Q12809 2/20 0.60
HTR3E A5X5Y0 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HTR3B O95264 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR1D P28221 1/20 0.51
HTR2C P28335 1/20 0.51
CYP2C19 P33261 1/20 0.51
THPO P40225 1/20 0.51
HTR3D Q70Z44 1/20 0.51

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
SCHEMBL606378 0.90 HRH4 (0.68) HRH4HTR3ADGAT1SOAT1KCNH2
SCHEMBL603536 0.86 HTR1D (0.52) HRH4HTR1DHTR2C
SCHEMBL14046586 0.85 DGAT1 (0.65) HRH4DGAT1SOAT1KCNH2
SCHEMBL602695 0.81 HRH4 (0.81) HRH4HTR3ATP53TSHRNFKB1
SCHEMBL606107 0.81 TRPV1 (0.46) HRH4DGAT1SOAT1KCNH2
SCHEMBL605066 0.78 HRH4 (0.71) HRH4HTR3AKCNH2
SCHEMBL3467563 0.78 HRH4 (1.00) HRH4HTR3AHTR3EKDM4EHTR3B
SCHEMBL601421 0.77 HTR1D (0.55) HRH4HTR3AHTR3EHTR3BHTR1D
SCHEMBL19137948 0.76 DGAT1 (0.98) DGAT1SOAT1KCNH2KDM4EHSD17B10
SCHEMBL604249 0.76 HRH4 (0.58) HRH4HTR3AHTR3EKDM4EHTR3B

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-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-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-2201982-A1 Histamine H4 receptor antagonists for the treatment of vestibular disorders INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-06-30 EP disclosed
US-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus DUNFORD PAUL J 2009-03-12 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
EP-1670774-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-21 EP disclosed
WO-2005033088-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-14 WO disclosed
US-20050070527-A1 For leukocyte recruitment inhibition, treating or preventing inflammation and H4 receptor-mediated conditions JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 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-20050070527-A1 For leukocyte recruitment inhibition, treating or preventing inflammation and H4 receptor-mediated conditions HRH4, HRH3, LTB4R HRH4 1/4885HTR3A 225/4885DGAT1 2762/4885
US-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus HRH4, HRH2, HRH3 HRH4 1/4885HTR3A 44/4885DGAT1 4857/4885

“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.