SCHEMBL604368

SCHEMBL604368

Nc1nc(N2CCNCC2)c2c(n1)C1(CCCCC1)CCCC2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.58
HRH4 Q9H3N8 17/20 0.55
HTR2C P28335 2/20 0.41
ADRB1 P08588 1/20 0.41
TACR2 P21452 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41
CCR1 P32246 1/20 0.41
HRH1 P35367 1/20 0.41
AVPR1A P37288 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KCNH2 Q12809 2/20 0.38

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
SCHEMBL606187 0.96 HRH3 (0.63) HRH3HRH4HTR2CADRB1TACR2
SCHEMBL604462 0.92 HRH3 (0.59) HRH3HRH4HTR2CADRB1TACR2
SCHEMBL12853468 0.90 HRH3 (0.59) HRH3HRH4HTR2CADRB1TACR2
SCHEMBL12853467 0.88 HRH3 (0.58) HRH3HRH4HTR2CADRB1TACR2
SCHEMBL12853465 0.88 HRH3 (0.60) HRH3HRH4HTR2CADRB1TACR2
SCHEMBL12853462 0.87 HRH3 (0.59) HRH3HRH4HTR2CADRB1TACR2
SCHEMBL12853413 0.86 HRH3 (0.58) HRH3HRH4HTR2CADRB1TACR2
SCHEMBL604874 0.86 HRH4 (0.56) HRH3HRH4HRH1KCNH2
SCHEMBL4134162 0.85 HRH4 (0.46) HRH3HRH4HTR2CADRB1TACR2
SCHEMBL12853547 0.84 HRH3 (0.65) HRH3HRH4HTR2CADRB1TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives ABBOTT LABORATORIES (US) 2009-09-17 US claimed
WO-2009114575-A1 TRICYCLIC SPIRO PYRIMIDINE DERIVATIVES AS HISTAMINE H4 LIGAND ABBOTT LABORATORIES (US) 2009-09-17 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-8278313-B2 Macrocyclic spiro 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
US-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives ABBOTT LABORATORIES (US) 2009-09-17 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-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives DPYD, TYMS, TYMP HRH3 4454/4885HRH4 4235/4885HTR2C 3147/4885

“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.