SCHEMBL604640

SCHEMBL604640

Nc1nc2c(c(N3CC4CCCNC4C3)n1)CCCc1occc1-2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 18/20 0.56
HSP90AA1 P07900 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
HTR3A P46098 2/20 0.33
ADRB1 P08588 1/20 0.32
TACR2 P21452 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CCR1 P32246 1/20 0.32
HRH1 P35367 1/20 0.32
AVPR1A P37288 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL3144120 0.99 HRH4 (0.55) HRH4HSP90AA1HRH3HTR3AADRB1
SCHEMBL603434 0.85 HRH4 (0.56) HRH4HRH3HTR3AADRB1TACR2
SCHEMBL605335 0.83 HRH4 (0.52) HRH4HRH3HTR3AADRB1TACR2
SCHEMBL2166385 0.82 HRH4 (0.63) HRH4HRH3HRH1
Hydrochloric Acid SCHEMBL3138738 0.82 HRH4 (0.51) HRH4HRH3HTR3AADRB1TACR2
SCHEMBL606141 0.82 HRH4 (0.57) HRH4HRH3HTR3AHRH1
SCHEMBL603560 0.82 HRH4 (0.57) HRH4HRH3HTR3AHRH1
Hydrochloric Acid SCHEMBL3135304 0.81 HRH4 (0.56) HRH4HRH3HTR3AHRH1
SCHEMBL604913 0.80 HRH4 (0.58) HRH4HRH3HTR3AHRH1
SCHEMBL605075 0.79 HRH4 (0.65) HRH4HRH3HTR3AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546410-B2 Heteroaryl-fused macrocyclic pyrimidine derivatives ABBVIE INC. (US) 2013-10-01 US claimed
US-20100004256-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-01-07 US claimed
WO-2009137492-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-11-12 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
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-8546410-B2 Heteroaryl-fused macrocyclic pyrimidine derivatives ABBVIE INC. (US) 2013-10-01 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-20100004256-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-01-07 US disclosed
WO-2009137492-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-11-12 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 (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-20100004256-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES CDK2, DPYD, CCNB1 HRH4 1115/4885HSP90AA1 2895/4885HRH3 1407/4885

“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.