SCHEMBL419107

SCHEMBL419107

CC(C1CC1)N1CCc2nc3ccc(-c4ccc5[nH]ccc5c4)cc3n2CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
CHRNA7 P36544 8/20 0.36
KCNH2 Q12809 4/20 0.36
MELK Q14680 1/20 0.35
METAP2 P50579 1/20 0.34
NPC1 O15118 1/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
HTR3A P46098 1/20 0.34
MTOR P42345 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
BRD4 O60885 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
SCHEMBL7888566 0.89 PTGS2 (0.36) PTGS2IRAK4CHRNA7KCNH2MELK
SCHEMBL418938 0.80 SPHK1 (0.35) METAP2
SCHEMBL422444 0.80 HRH4 (0.35)
SCHEMBL421660 0.79 CHRNA7 (0.37) CHRNA7KCNH2NPC1CHRNB2CHRNA4
SCHEMBL419627 0.78 CHRNA7 (0.40) IRAK4CHRNA7KCNH2
SCHEMBL417461 0.78 HTR3A (0.38) HTR3A
SCHEMBL419043 0.77 MAPT (0.46) NPC1
SCHEMBL421661 0.75 NPC1 (0.36) PTGS2CHRNA7KCNH2METAP2NPC1
SCHEMBL421669 0.73 CSNK1D (0.35) CHRNA7KCNH2MELKMETAP2NPC1
SCHEMBL10176643 0.71 TP53 (0.37) NPC1

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 6 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
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO 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 PTGS2 2071/4885IRAK4 2343/4885CHRNA7 8/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 PTGS2 2071/4885IRAK4 2343/4885CHRNA7 8/4885

“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.