SCHEMBL418705

SCHEMBL418705

c1coc(-c2ccc3c(nc4n3CCNCC4)c2C2CNC2)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.33
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
FYN P06241 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ABCB1 P08183 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL420350 0.65 HTR2A (0.33) HTR2AHTR2C
SCHEMBL6715342 0.64 HTR2A (0.57) ERAP1HRH1KCNH2HRH4HRH3
SCHEMBL6718411 0.62 HTR2A (0.50) ERAP1HRH1KCNH2HRH4HRH3
SCHEMBL420294 0.61 HRH3 (0.37) HRH1HRH4HRH3HTR2AHTR2C
SCHEMBL11427510 0.61 HTR2C (0.51) HTR2AHTR2C
SCHEMBL420106 0.60
SCHEMBL6719301 0.59 HTR2A (0.57) ERAP1HRH1KCNH2HRH4HRH3
SCHEMBL7830202 0.57 HTR7 (0.58) HTR2A
SCHEMBL419918 0.57 PIK3CA (0.42) HTR2AHTR2C
SCHEMBL13259153 0.57 MEN1 (0.42) HTR2AHTR2C

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-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 ERAP1 2726/4885HRH1 4/4885KCNH2 678/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 ERAP1 2726/4885HRH1 4/4885KCNH2 678/4885

“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.