SCHEMBL7890641

SCHEMBL7890641

CC1CCC(N2CCc3nc4cc(-c5ccc(C#N)cc5)ccc4n3CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.40
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
CYP11B2 P19099 1/20 0.36
GRM2 Q14416 1/20 0.36
GAA P10253 1/20 0.36
MMP14 P50281 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HSD11B1 P28845 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
KDM2B Q8NHM5 1/20 0.35

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
SCHEMBL7886562 0.94 HRH3 (0.37) HRH3KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7886559 0.91 MAPT (0.45) HRH3KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL422754 0.91 MAPT (0.43) HRH3KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7890090 0.90 HRH4 (0.41) HRH3KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7880982 0.90 MAPT (0.47) HRH3KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7892805 0.88 HRH3 (0.39) HRH3KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL10176662 0.87 MAPT (0.39) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL417919 0.85 HRH3 (0.43) HRH3KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7890600 0.85 HRH3 (0.37) HRH3KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL420920 0.82 HRH3 (0.42) HRH3KCNH2ALDH1A1MAPTSMN1; SMN2

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 9 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-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-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-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
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 HRH3 1/4885KCNH2 678/4885ALDH1A1 2598/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH3 1/4885KCNH2 678/4885ALDH1A1 2598/4885

“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.