SCHEMBL6895787

SCHEMBL6895787

c1coc(-c2ccc3c(c2)nc2n3CC3CCCN3CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
MCL1 Q07820 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.39
HRH1 P35367 2/20 0.35
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
KCNH2 Q12809 1/20 0.35
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE2A O00408 2/20 0.33
PIP4K2A P48426 1/20 0.33
CHRNB1 P11230 1/20 0.33

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
SCHEMBL420246 0.88 MAPT (0.48) ADORA2AADORA1MAPTKDM4ECASP1
SCHEMBL6895394 0.84 MAPT (0.46) ADORA2AADORA1MAPTKDM4ECASP1
SCHEMBL10298600 0.81 USP30 (0.37) MAPTKDM4EHSD17B10POLBHRH3
SCHEMBL6895411 0.80 KDM4E (0.36) ADORA2AADORA1MAPTKDM4ECASP1
SCHEMBL7879760 0.80 MAPT (0.42) ADORA2AADORA1MAPTKDM4ECASP1
SCHEMBL6895573 0.78 EGLN2 (0.43) HRH3KCNH2
SCHEMBL6893978 0.78 MAPT (0.38) MAPTKDM4ECASP1CASP7MCL1
SCHEMBL10298603 0.78 SMN1; SMN2 (0.40) MAPTKDM4EPOLBNPC1ALDH1A1
SCHEMBL6895917 0.78 HTR7 (0.42) MAPTKDM4EPOLBHRH4NPC1
SCHEMBL7879747 0.74 CHRNB1 (0.38) ADORA2AADORA1MAPTKDM4ECASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 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 (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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 ADORA2A 359/4885ADORA1 364/4885MAPT 951/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 ADORA2A 359/4885ADORA1 364/4885MAPT 951/4885

“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.