SCHEMBL12744973

SCHEMBL12744973

CC(C)(C)c1cc(N2CC3NCCC[C@@H]3C2)nc(N)n1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.70
ROCK1 Q13464 1/20 0.43
HTR3A P46098 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL605221 1.00 HRH4 (0.70) HRH4ROCK1HTR3AHRH3
SCHEMBL18550569 1.00 HRH4 (0.70) HRH4ROCK1HTR3AHRH3
SCHEMBL605220 1.00 HRH4 (0.70) HRH4ROCK1HTR3AHRH3
SCHEMBL603940 0.84 HRH4 (0.75) HRH4ROCK1HTR3AHRH3
SCHEMBL603939 0.84 HRH4 (0.75) HRH4ROCK1HTR3AHRH3
SCHEMBL603941 0.84 HRH4 (0.75) HRH4ROCK1HTR3AHRH3
SCHEMBL1775551 0.83 HRH4 (0.66) HRH4ROCK1HTR3A
SCHEMBL1775550 0.83 HRH4 (0.66) HRH4ROCK1HTR3A
SCHEMBL602956 0.81 HRH4 (0.70) HRH4ROCK1HTR3AHRH3
SCHEMBL602957 0.81 HRH4 (0.70) HRH4ROCK1HTR3AHRH3

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 4 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
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
US-7923451-B2 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents JANSSEN PHARMACEUTICA NV (BE) 2011-04-12 US disclosed
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 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-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents HRH4, HRH2, HRH3 HRH4 1/4885ROCK1 4609/4885HTR3A 333/4885

“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.